USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 434 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 49 CYS SG : rot 180:sc= -1.78 USER MOD Set 1.2: A 50 ASN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.66 K(o=-2.5,f=-3.3!) USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 160:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.792 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.921 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -109:sc= -0.173 (180deg=-1.33) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= -0.105 (180deg=-3.09!) USER MOD Single : A 33 THR OG1 : rot -77:sc= 0.0126 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 46 HIS : no HD1:sc= -0.0824 X(o=-0.082,f=0.0091) USER MOD Single : A 48 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-3.5) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 3:sc= 0.389 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0476 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.369 5.666 -19.994 1.00 0.00 N ATOM 2 CA GLY A 1 0.281 6.716 -18.996 1.00 0.00 C ATOM 3 C GLY A 1 -1.121 7.276 -18.865 1.00 0.00 C ATOM 4 O GLY A 1 -1.407 8.372 -19.346 1.00 0.00 O ATOM 0 H1 GLY A 1 1.347 5.317 -20.045 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.265 4.884 -19.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.088 6.044 -20.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.604 6.324 -18.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.967 7.521 -19.259 1.00 0.00 H new ATOM 8 N SER A 2 -1.999 6.520 -18.212 1.00 0.00 N ATOM 9 CA SER A 2 -3.381 6.945 -18.024 1.00 0.00 C ATOM 10 C SER A 2 -3.807 6.777 -16.568 1.00 0.00 C ATOM 11 O SER A 2 -3.857 5.662 -16.049 1.00 0.00 O ATOM 12 CB SER A 2 -4.312 6.143 -18.935 1.00 0.00 C ATOM 13 OG SER A 2 -5.602 6.728 -18.989 1.00 0.00 O ATOM 0 H SER A 2 -1.778 5.611 -17.805 1.00 0.00 H new ATOM 0 HA SER A 2 -3.450 8.001 -18.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.890 6.093 -19.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.389 5.119 -18.570 1.00 0.00 H new ATOM 0 HG SER A 2 -6.177 6.198 -19.579 1.00 0.00 H new ATOM 19 N SER A 3 -4.114 7.894 -15.916 1.00 0.00 N ATOM 20 CA SER A 3 -4.532 7.873 -14.519 1.00 0.00 C ATOM 21 C SER A 3 -5.982 7.417 -14.393 1.00 0.00 C ATOM 22 O SER A 3 -6.899 8.088 -14.865 1.00 0.00 O ATOM 23 CB SER A 3 -4.365 9.259 -13.893 1.00 0.00 C ATOM 24 OG SER A 3 -2.998 9.627 -13.827 1.00 0.00 O ATOM 0 H SER A 3 -4.081 8.824 -16.333 1.00 0.00 H new ATOM 0 HA SER A 3 -3.898 7.164 -13.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.915 9.995 -14.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.795 9.263 -12.891 1.00 0.00 H new ATOM 0 HG SER A 3 -2.918 10.517 -13.425 1.00 0.00 H new ATOM 30 N GLY A 4 -6.182 6.269 -13.751 1.00 0.00 N ATOM 31 CA GLY A 4 -7.522 5.742 -13.574 1.00 0.00 C ATOM 32 C GLY A 4 -7.521 4.301 -13.103 1.00 0.00 C ATOM 33 O GLY A 4 -8.336 3.494 -13.549 1.00 0.00 O ATOM 0 H GLY A 4 -5.440 5.695 -13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.058 6.357 -12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.064 5.812 -14.517 1.00 0.00 H new ATOM 37 N SER A 5 -6.602 3.977 -12.199 1.00 0.00 N ATOM 38 CA SER A 5 -6.494 2.622 -11.670 1.00 0.00 C ATOM 39 C SER A 5 -7.776 2.217 -10.948 1.00 0.00 C ATOM 40 O SER A 5 -8.231 2.906 -10.035 1.00 0.00 O ATOM 41 CB SER A 5 -5.303 2.517 -10.716 1.00 0.00 C ATOM 42 OG SER A 5 -5.341 1.305 -9.984 1.00 0.00 O ATOM 0 H SER A 5 -5.921 4.634 -11.818 1.00 0.00 H new ATOM 0 HA SER A 5 -6.339 1.943 -12.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.373 2.574 -11.282 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.309 3.362 -10.027 1.00 0.00 H new ATOM 0 HG SER A 5 -4.447 1.105 -9.635 1.00 0.00 H new ATOM 48 N SER A 6 -8.352 1.094 -11.365 1.00 0.00 N ATOM 49 CA SER A 6 -9.584 0.598 -10.761 1.00 0.00 C ATOM 50 C SER A 6 -9.467 -0.887 -10.431 1.00 0.00 C ATOM 51 O SER A 6 -9.312 -1.722 -11.321 1.00 0.00 O ATOM 52 CB SER A 6 -10.768 0.831 -11.701 1.00 0.00 C ATOM 53 OG SER A 6 -10.687 -0.008 -12.840 1.00 0.00 O ATOM 0 H SER A 6 -7.986 0.511 -12.118 1.00 0.00 H new ATOM 0 HA SER A 6 -9.752 1.147 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.701 0.640 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.788 1.875 -12.015 1.00 0.00 H new ATOM 0 HG SER A 6 -10.001 -0.692 -12.694 1.00 0.00 H new ATOM 59 N GLY A 7 -9.542 -1.208 -9.142 1.00 0.00 N ATOM 60 CA GLY A 7 -9.443 -2.592 -8.716 1.00 0.00 C ATOM 61 C GLY A 7 -10.130 -2.840 -7.388 1.00 0.00 C ATOM 62 O GLY A 7 -10.914 -3.778 -7.252 1.00 0.00 O ATOM 0 H GLY A 7 -9.669 -0.535 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.886 -3.236 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.392 -2.870 -8.635 1.00 0.00 H new ATOM 66 N SER A 8 -9.833 -1.997 -6.403 1.00 0.00 N ATOM 67 CA SER A 8 -10.423 -2.132 -5.077 1.00 0.00 C ATOM 68 C SER A 8 -11.235 -0.893 -4.715 1.00 0.00 C ATOM 69 O SER A 8 -11.247 0.093 -5.452 1.00 0.00 O ATOM 70 CB SER A 8 -9.331 -2.364 -4.031 1.00 0.00 C ATOM 71 OG SER A 8 -8.791 -3.670 -4.138 1.00 0.00 O ATOM 0 H SER A 8 -9.187 -1.213 -6.499 1.00 0.00 H new ATOM 0 HA SER A 8 -11.092 -2.992 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.538 -1.628 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.743 -2.218 -3.032 1.00 0.00 H new ATOM 0 HG SER A 8 -8.094 -3.792 -3.460 1.00 0.00 H new ATOM 77 N SER A 9 -11.914 -0.950 -3.573 1.00 0.00 N ATOM 78 CA SER A 9 -12.732 0.165 -3.113 1.00 0.00 C ATOM 79 C SER A 9 -11.859 1.292 -2.569 1.00 0.00 C ATOM 80 O SER A 9 -10.835 1.063 -1.924 1.00 0.00 O ATOM 81 CB SER A 9 -13.711 -0.303 -2.034 1.00 0.00 C ATOM 82 OG SER A 9 -14.645 0.714 -1.717 1.00 0.00 O ATOM 0 H SER A 9 -11.913 -1.757 -2.950 1.00 0.00 H new ATOM 0 HA SER A 9 -13.296 0.545 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.239 -1.192 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.160 -0.587 -1.137 1.00 0.00 H new ATOM 0 HG SER A 9 -15.260 0.390 -1.027 1.00 0.00 H new ATOM 88 N PRO A 10 -12.271 2.540 -2.835 1.00 0.00 N ATOM 89 CA PRO A 10 -11.542 3.728 -2.381 1.00 0.00 C ATOM 90 C PRO A 10 -11.625 3.918 -0.870 1.00 0.00 C ATOM 91 O PRO A 10 -11.109 4.895 -0.329 1.00 0.00 O ATOM 92 CB PRO A 10 -12.251 4.877 -3.104 1.00 0.00 C ATOM 93 CG PRO A 10 -13.626 4.367 -3.368 1.00 0.00 C ATOM 94 CD PRO A 10 -13.482 2.888 -3.598 1.00 0.00 C ATOM 0 HA PRO A 10 -10.476 3.660 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.274 5.777 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.740 5.137 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.286 4.568 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.063 4.856 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.353 2.339 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.370 2.655 -4.657 1.00 0.00 H new ATOM 102 N SER A 11 -12.277 2.976 -0.195 1.00 0.00 N ATOM 103 CA SER A 11 -12.430 3.042 1.253 1.00 0.00 C ATOM 104 C SER A 11 -11.070 3.110 1.941 1.00 0.00 C ATOM 105 O SER A 11 -10.808 4.012 2.738 1.00 0.00 O ATOM 106 CB SER A 11 -13.210 1.827 1.760 1.00 0.00 C ATOM 107 OG SER A 11 -13.768 2.076 3.039 1.00 0.00 O ATOM 0 H SER A 11 -12.707 2.159 -0.628 1.00 0.00 H new ATOM 0 HA SER A 11 -12.985 3.949 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.004 1.581 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.549 0.962 1.810 1.00 0.00 H new ATOM 0 HG SER A 11 -14.263 1.285 3.340 1.00 0.00 H new ATOM 113 N LEU A 12 -10.206 2.151 1.626 1.00 0.00 N ATOM 114 CA LEU A 12 -8.872 2.100 2.213 1.00 0.00 C ATOM 115 C LEU A 12 -8.007 3.248 1.699 1.00 0.00 C ATOM 116 O LEU A 12 -6.986 3.586 2.299 1.00 0.00 O ATOM 117 CB LEU A 12 -8.203 0.762 1.895 1.00 0.00 C ATOM 118 CG LEU A 12 -8.445 -0.365 2.900 1.00 0.00 C ATOM 119 CD1 LEU A 12 -9.924 -0.712 2.969 1.00 0.00 C ATOM 120 CD2 LEU A 12 -7.623 -1.592 2.534 1.00 0.00 C ATOM 0 H LEU A 12 -10.406 1.398 0.967 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.974 2.200 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.549 0.429 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.128 0.926 1.815 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.128 -0.021 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.076 -1.516 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.490 0.166 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.268 -1.035 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.808 -2.384 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.908 -1.937 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.564 -1.335 2.539 1.00 0.00 H new ATOM 132 N LEU A 13 -8.425 3.844 0.588 1.00 0.00 N ATOM 133 CA LEU A 13 -7.690 4.956 -0.006 1.00 0.00 C ATOM 134 C LEU A 13 -8.069 6.275 0.659 1.00 0.00 C ATOM 135 O LEU A 13 -7.266 7.207 0.713 1.00 0.00 O ATOM 136 CB LEU A 13 -7.967 5.031 -1.508 1.00 0.00 C ATOM 137 CG LEU A 13 -7.311 3.949 -2.366 1.00 0.00 C ATOM 138 CD1 LEU A 13 -5.808 4.170 -2.447 1.00 0.00 C ATOM 139 CD2 LEU A 13 -7.619 2.567 -1.809 1.00 0.00 C ATOM 0 H LEU A 13 -9.268 3.576 0.080 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.626 4.783 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.045 4.984 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.636 6.004 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.722 4.013 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.358 3.390 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.607 5.144 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.380 4.134 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.144 1.809 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.237 2.491 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.697 2.409 -1.804 1.00 0.00 H new ATOM 151 N GLU A 14 -9.296 6.346 1.167 1.00 0.00 N ATOM 152 CA GLU A 14 -9.779 7.551 1.830 1.00 0.00 C ATOM 153 C GLU A 14 -8.704 8.141 2.739 1.00 0.00 C ATOM 154 O GLU A 14 -8.284 9.287 2.584 1.00 0.00 O ATOM 155 CB GLU A 14 -11.038 7.243 2.643 1.00 0.00 C ATOM 156 CG GLU A 14 -12.330 7.494 1.884 1.00 0.00 C ATOM 157 CD GLU A 14 -12.794 8.935 1.983 1.00 0.00 C ATOM 158 OE1 GLU A 14 -13.487 9.268 2.967 1.00 0.00 O ATOM 159 OE2 GLU A 14 -12.464 9.728 1.077 1.00 0.00 O ATOM 0 H GLU A 14 -9.973 5.584 1.132 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.022 8.285 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.009 6.200 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.034 7.851 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.188 7.233 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.109 6.838 2.273 1.00 0.00 H new ATOM 166 N PRO A 15 -8.248 7.338 3.712 1.00 0.00 N ATOM 167 CA PRO A 15 -7.217 7.758 4.666 1.00 0.00 C ATOM 168 C PRO A 15 -5.848 7.905 4.012 1.00 0.00 C ATOM 169 O PRO A 15 -5.096 8.831 4.323 1.00 0.00 O ATOM 170 CB PRO A 15 -7.200 6.622 5.692 1.00 0.00 C ATOM 171 CG PRO A 15 -7.705 5.433 4.950 1.00 0.00 C ATOM 172 CD PRO A 15 -8.704 5.959 3.956 1.00 0.00 C ATOM 0 HA PRO A 15 -7.433 8.736 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.194 6.451 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.834 6.853 6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.890 4.912 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.169 4.718 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.708 5.369 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.718 5.936 4.355 1.00 0.00 H new ATOM 180 N LEU A 16 -5.529 6.989 3.104 1.00 0.00 N ATOM 181 CA LEU A 16 -4.249 7.018 2.405 1.00 0.00 C ATOM 182 C LEU A 16 -4.214 8.148 1.380 1.00 0.00 C ATOM 183 O LEU A 16 -3.152 8.500 0.865 1.00 0.00 O ATOM 184 CB LEU A 16 -3.994 5.678 1.712 1.00 0.00 C ATOM 185 CG LEU A 16 -3.838 4.466 2.632 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.565 3.211 1.819 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.724 4.703 3.641 1.00 0.00 C ATOM 0 H LEU A 16 -6.139 6.217 2.835 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.465 7.195 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.818 5.484 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.091 5.770 1.109 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.771 4.325 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.457 2.359 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.396 3.032 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.646 3.341 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.627 3.831 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.785 4.870 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.961 5.578 4.246 1.00 0.00 H new ATOM 199 N LEU A 17 -5.380 8.713 1.091 1.00 0.00 N ATOM 200 CA LEU A 17 -5.483 9.806 0.129 1.00 0.00 C ATOM 201 C LEU A 17 -5.491 11.156 0.838 1.00 0.00 C ATOM 202 O LEU A 17 -4.780 12.080 0.443 1.00 0.00 O ATOM 203 CB LEU A 17 -6.750 9.652 -0.714 1.00 0.00 C ATOM 204 CG LEU A 17 -6.726 8.542 -1.765 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.102 8.369 -2.391 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.686 8.843 -2.835 1.00 0.00 C ATOM 0 H LEU A 17 -6.268 8.433 1.508 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.612 9.765 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.589 9.471 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.944 10.599 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.453 7.608 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.065 7.575 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.824 8.107 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.404 9.301 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.683 8.042 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.929 9.787 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.701 8.915 -2.375 1.00 0.00 H new ATOM 218 N ALA A 18 -6.299 11.263 1.888 1.00 0.00 N ATOM 219 CA ALA A 18 -6.396 12.498 2.655 1.00 0.00 C ATOM 220 C ALA A 18 -5.066 12.838 3.319 1.00 0.00 C ATOM 221 O ALA A 18 -4.798 13.997 3.636 1.00 0.00 O ATOM 222 CB ALA A 18 -7.496 12.386 3.700 1.00 0.00 C ATOM 0 H ALA A 18 -6.896 10.508 2.227 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.645 13.305 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.557 13.316 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.449 12.199 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.271 11.563 4.378 1.00 0.00 H new ATOM 228 N MET A 19 -4.237 11.821 3.529 1.00 0.00 N ATOM 229 CA MET A 19 -2.934 12.013 4.155 1.00 0.00 C ATOM 230 C MET A 19 -1.970 12.712 3.202 1.00 0.00 C ATOM 231 O MET A 19 -1.028 13.376 3.633 1.00 0.00 O ATOM 232 CB MET A 19 -2.352 10.668 4.593 1.00 0.00 C ATOM 233 CG MET A 19 -3.078 10.047 5.775 1.00 0.00 C ATOM 234 SD MET A 19 -2.376 10.544 7.360 1.00 0.00 S ATOM 235 CE MET A 19 -1.655 8.999 7.910 1.00 0.00 C ATOM 0 H MET A 19 -4.444 10.855 3.275 1.00 0.00 H new ATOM 0 HA MET A 19 -3.070 12.645 5.033 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.386 9.976 3.752 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.302 10.803 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.129 10.333 5.742 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.040 8.961 5.690 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.235 8.603 8.743 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.662 8.282 7.089 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.628 9.171 8.233 1.00 0.00 H new ATOM 245 N GLY A 20 -2.213 12.558 1.904 1.00 0.00 N ATOM 246 CA GLY A 20 -1.357 13.180 0.910 1.00 0.00 C ATOM 247 C GLY A 20 -0.917 12.208 -0.167 1.00 0.00 C ATOM 248 O GLY A 20 -0.738 12.591 -1.323 1.00 0.00 O ATOM 0 H GLY A 20 -2.987 12.014 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.887 14.013 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.477 13.595 1.402 1.00 0.00 H new ATOM 252 N PHE A 21 -0.741 10.946 0.213 1.00 0.00 N ATOM 253 CA PHE A 21 -0.317 9.917 -0.729 1.00 0.00 C ATOM 254 C PHE A 21 -1.337 9.754 -1.852 1.00 0.00 C ATOM 255 O PHE A 21 -2.548 9.797 -1.637 1.00 0.00 O ATOM 256 CB PHE A 21 -0.122 8.583 -0.005 1.00 0.00 C ATOM 257 CG PHE A 21 0.488 8.725 1.360 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.865 8.747 1.519 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.314 8.838 2.484 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.429 8.877 2.774 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.245 8.968 3.742 1.00 0.00 C ATOM 262 CZ PHE A 21 1.618 8.989 3.886 1.00 0.00 C ATOM 0 H PHE A 21 -0.885 10.612 1.166 1.00 0.00 H new ATOM 0 HA PHE A 21 0.632 10.228 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.087 8.084 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.513 7.938 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.504 8.662 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.389 8.824 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.503 8.891 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.391 9.053 4.610 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.057 9.093 4.867 1.00 0.00 H new ATOM 272 N PRO A 22 -0.836 9.564 -3.082 1.00 0.00 N ATOM 273 CA PRO A 22 -1.685 9.391 -4.265 1.00 0.00 C ATOM 274 C PRO A 22 -2.428 8.060 -4.255 1.00 0.00 C ATOM 275 O PRO A 22 -2.529 7.401 -3.220 1.00 0.00 O ATOM 276 CB PRO A 22 -0.689 9.439 -5.426 1.00 0.00 C ATOM 277 CG PRO A 22 0.607 9.006 -4.832 1.00 0.00 C ATOM 278 CD PRO A 22 0.598 9.502 -3.412 1.00 0.00 C ATOM 0 HA PRO A 22 -2.464 10.151 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.994 8.777 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.617 10.443 -5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.709 7.921 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.449 9.423 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.135 8.826 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.073 10.479 -3.324 1.00 0.00 H new ATOM 286 N VAL A 23 -2.947 7.669 -5.415 1.00 0.00 N ATOM 287 CA VAL A 23 -3.681 6.415 -5.540 1.00 0.00 C ATOM 288 C VAL A 23 -2.738 5.255 -5.838 1.00 0.00 C ATOM 289 O VAL A 23 -2.706 4.263 -5.109 1.00 0.00 O ATOM 290 CB VAL A 23 -4.745 6.496 -6.650 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.188 5.102 -7.068 1.00 0.00 C ATOM 292 CG2 VAL A 23 -5.933 7.326 -6.189 1.00 0.00 C ATOM 0 H VAL A 23 -2.873 8.202 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.176 6.241 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.303 6.986 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.940 5.179 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.329 4.544 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.612 4.582 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.675 7.373 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.377 6.867 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.599 8.334 -5.944 1.00 0.00 H new ATOM 302 N HIS A 24 -1.971 5.385 -6.916 1.00 0.00 N ATOM 303 CA HIS A 24 -1.025 4.347 -7.311 1.00 0.00 C ATOM 304 C HIS A 24 -0.138 3.945 -6.137 1.00 0.00 C ATOM 305 O HIS A 24 0.204 2.773 -5.975 1.00 0.00 O ATOM 306 CB HIS A 24 -0.162 4.831 -8.476 1.00 0.00 C ATOM 307 CG HIS A 24 0.061 6.312 -8.482 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.350 7.131 -9.512 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.656 7.121 -7.574 1.00 0.00 C ATOM 310 CE1 HIS A 24 -0.017 8.380 -9.238 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.594 8.401 -8.067 1.00 0.00 N ATOM 0 H HIS A 24 -1.986 6.198 -7.531 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.594 3.473 -7.629 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.804 4.327 -8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.635 4.539 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.097 6.816 -6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.211 9.238 -9.865 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.960 9.233 -7.604 1.00 0.00 H new ATOM 320 N THR A 25 0.234 4.925 -5.320 1.00 0.00 N ATOM 321 CA THR A 25 1.083 4.675 -4.162 1.00 0.00 C ATOM 322 C THR A 25 0.300 4.000 -3.041 1.00 0.00 C ATOM 323 O THR A 25 0.676 2.929 -2.567 1.00 0.00 O ATOM 324 CB THR A 25 1.703 5.979 -3.627 1.00 0.00 C ATOM 325 OG1 THR A 25 2.486 6.605 -4.650 1.00 0.00 O ATOM 326 CG2 THR A 25 2.574 5.705 -2.410 1.00 0.00 C ATOM 0 H THR A 25 -0.040 5.900 -5.439 1.00 0.00 H new ATOM 0 HA THR A 25 1.882 4.012 -4.494 1.00 0.00 H new ATOM 0 HB THR A 25 0.893 6.646 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.875 7.434 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.001 6.641 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.968 5.256 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.378 5.021 -2.684 1.00 0.00 H new ATOM 334 N ALA A 26 -0.790 4.635 -2.623 1.00 0.00 N ATOM 335 CA ALA A 26 -1.628 4.094 -1.560 1.00 0.00 C ATOM 336 C ALA A 26 -2.037 2.656 -1.861 1.00 0.00 C ATOM 337 O ALA A 26 -2.193 1.841 -0.950 1.00 0.00 O ATOM 338 CB ALA A 26 -2.859 4.965 -1.364 1.00 0.00 C ATOM 0 H ALA A 26 -1.113 5.524 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.047 4.093 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.476 4.549 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.551 5.975 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.434 4.996 -2.289 1.00 0.00 H new ATOM 344 N LEU A 27 -2.210 2.351 -3.142 1.00 0.00 N ATOM 345 CA LEU A 27 -2.602 1.010 -3.563 1.00 0.00 C ATOM 346 C LEU A 27 -1.464 0.018 -3.348 1.00 0.00 C ATOM 347 O LEU A 27 -1.673 -1.080 -2.831 1.00 0.00 O ATOM 348 CB LEU A 27 -3.016 1.018 -5.035 1.00 0.00 C ATOM 349 CG LEU A 27 -4.245 1.859 -5.383 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.185 2.319 -6.831 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.521 1.072 -5.124 1.00 0.00 C ATOM 0 H LEU A 27 -2.085 3.014 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.451 0.698 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.174 1.379 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.205 -0.010 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.250 2.741 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.068 2.916 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.290 2.922 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.154 1.450 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.385 1.686 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.524 0.171 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.570 0.794 -4.071 1.00 0.00 H new ATOM 363 N LYS A 28 -0.259 0.411 -3.746 1.00 0.00 N ATOM 364 CA LYS A 28 0.914 -0.441 -3.594 1.00 0.00 C ATOM 365 C LYS A 28 1.089 -0.872 -2.142 1.00 0.00 C ATOM 366 O LYS A 28 1.250 -2.057 -1.851 1.00 0.00 O ATOM 367 CB LYS A 28 2.168 0.292 -4.075 1.00 0.00 C ATOM 368 CG LYS A 28 2.473 0.075 -5.547 1.00 0.00 C ATOM 369 CD LYS A 28 3.620 0.956 -6.014 1.00 0.00 C ATOM 370 CE LYS A 28 3.119 2.298 -6.527 1.00 0.00 C ATOM 371 NZ LYS A 28 4.005 2.852 -7.587 1.00 0.00 N ATOM 0 H LYS A 28 -0.069 1.316 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 28 0.766 -1.333 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.047 1.360 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.021 -0.039 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.724 -0.972 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.584 0.290 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.315 1.117 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.173 0.447 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.109 2.182 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.059 3.004 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.299 3.815 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.846 2.248 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.490 2.881 -8.490 1.00 0.00 H new ATOM 385 N ALA A 29 1.055 0.097 -1.233 1.00 0.00 N ATOM 386 CA ALA A 29 1.206 -0.183 0.189 1.00 0.00 C ATOM 387 C ALA A 29 0.126 -1.143 0.678 1.00 0.00 C ATOM 388 O ALA A 29 0.405 -2.073 1.436 1.00 0.00 O ATOM 389 CB ALA A 29 1.167 1.111 0.989 1.00 0.00 C ATOM 0 H ALA A 29 0.924 1.084 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 29 2.174 -0.661 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.281 0.887 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.979 1.763 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.213 1.612 0.825 1.00 0.00 H new ATOM 395 N LEU A 30 -1.106 -0.911 0.240 1.00 0.00 N ATOM 396 CA LEU A 30 -2.229 -1.755 0.633 1.00 0.00 C ATOM 397 C LEU A 30 -2.037 -3.184 0.136 1.00 0.00 C ATOM 398 O LEU A 30 -2.097 -4.136 0.914 1.00 0.00 O ATOM 399 CB LEU A 30 -3.538 -1.184 0.085 1.00 0.00 C ATOM 400 CG LEU A 30 -4.140 -0.016 0.867 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.309 0.590 0.105 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.580 -0.470 2.251 1.00 0.00 C ATOM 0 H LEU A 30 -1.353 -0.146 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.275 -1.772 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.368 -0.859 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.274 -1.987 0.047 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.374 0.750 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.725 1.420 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.963 0.953 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.077 -0.168 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.006 0.375 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.330 -1.255 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.720 -0.855 2.798 1.00 0.00 H new ATOM 414 N ALA A 31 -1.803 -3.326 -1.164 1.00 0.00 N ATOM 415 CA ALA A 31 -1.597 -4.638 -1.765 1.00 0.00 C ATOM 416 C ALA A 31 -0.422 -5.361 -1.115 1.00 0.00 C ATOM 417 O ALA A 31 -0.425 -6.586 -0.993 1.00 0.00 O ATOM 418 CB ALA A 31 -1.373 -4.504 -3.264 1.00 0.00 C ATOM 0 H ALA A 31 -1.751 -2.548 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.495 -5.232 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.221 -5.492 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.245 -4.037 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.493 -3.888 -3.447 1.00 0.00 H new ATOM 424 N ALA A 32 0.582 -4.595 -0.701 1.00 0.00 N ATOM 425 CA ALA A 32 1.763 -5.163 -0.063 1.00 0.00 C ATOM 426 C ALA A 32 1.426 -5.727 1.313 1.00 0.00 C ATOM 427 O ALA A 32 1.636 -6.911 1.579 1.00 0.00 O ATOM 428 CB ALA A 32 2.858 -4.113 0.050 1.00 0.00 C ATOM 0 H ALA A 32 0.601 -3.580 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 32 2.123 -5.983 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.734 -4.551 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.127 -3.759 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.499 -3.276 0.648 1.00 0.00 H new ATOM 434 N THR A 33 0.901 -4.872 2.186 1.00 0.00 N ATOM 435 CA THR A 33 0.537 -5.285 3.536 1.00 0.00 C ATOM 436 C THR A 33 -0.466 -6.433 3.507 1.00 0.00 C ATOM 437 O THR A 33 -0.267 -7.461 4.153 1.00 0.00 O ATOM 438 CB THR A 33 -0.062 -4.115 4.339 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.211 -3.594 3.663 1.00 0.00 O ATOM 440 CG2 THR A 33 0.965 -3.009 4.530 1.00 0.00 C ATOM 0 H THR A 33 0.719 -3.889 1.982 1.00 0.00 H new ATOM 0 HA THR A 33 1.453 -5.618 4.023 1.00 0.00 H new ATOM 0 HB THR A 33 -0.357 -4.489 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.923 -3.032 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.520 -2.193 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.826 -3.402 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.286 -2.639 3.556 1.00 0.00 H new ATOM 448 N GLY A 34 -1.546 -6.250 2.753 1.00 0.00 N ATOM 449 CA GLY A 34 -2.565 -7.280 2.655 1.00 0.00 C ATOM 450 C GLY A 34 -3.969 -6.714 2.724 1.00 0.00 C ATOM 451 O GLY A 34 -4.876 -7.349 3.263 1.00 0.00 O ATOM 0 H GLY A 34 -1.734 -5.408 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.441 -7.822 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.427 -8.001 3.461 1.00 0.00 H new ATOM 455 N ARG A 35 -4.151 -5.516 2.177 1.00 0.00 N ATOM 456 CA ARG A 35 -5.454 -4.864 2.182 1.00 0.00 C ATOM 457 C ARG A 35 -6.129 -5.007 3.543 1.00 0.00 C ATOM 458 O ARG A 35 -7.321 -5.305 3.629 1.00 0.00 O ATOM 459 CB ARG A 35 -6.349 -5.457 1.092 1.00 0.00 C ATOM 460 CG ARG A 35 -5.985 -5.000 -0.311 1.00 0.00 C ATOM 461 CD ARG A 35 -6.571 -5.924 -1.368 1.00 0.00 C ATOM 462 NE ARG A 35 -5.916 -5.758 -2.663 1.00 0.00 N ATOM 463 CZ ARG A 35 -4.716 -6.251 -2.948 1.00 0.00 C ATOM 464 NH1 ARG A 35 -4.043 -6.937 -2.034 1.00 0.00 N ATOM 465 NH2 ARG A 35 -4.187 -6.059 -4.149 1.00 0.00 N ATOM 0 H ARG A 35 -3.412 -4.978 1.725 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.302 -3.804 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.290 -6.544 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.385 -5.185 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.350 -3.985 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.900 -4.969 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.471 -6.959 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.638 -5.725 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.407 -5.235 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.447 -7.087 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.122 -7.314 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.702 -5.532 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.265 -6.438 -4.367 1.00 0.00 H new ATOM 479 N LYS A 36 -5.359 -4.792 4.604 1.00 0.00 N ATOM 480 CA LYS A 36 -5.881 -4.896 5.962 1.00 0.00 C ATOM 481 C LYS A 36 -6.544 -3.591 6.391 1.00 0.00 C ATOM 482 O LYS A 36 -7.744 -3.552 6.665 1.00 0.00 O ATOM 483 CB LYS A 36 -4.757 -5.254 6.936 1.00 0.00 C ATOM 484 CG LYS A 36 -4.051 -6.556 6.598 1.00 0.00 C ATOM 485 CD LYS A 36 -4.925 -7.760 6.906 1.00 0.00 C ATOM 486 CE LYS A 36 -4.504 -8.976 6.094 1.00 0.00 C ATOM 487 NZ LYS A 36 -3.161 -9.476 6.500 1.00 0.00 N ATOM 0 H LYS A 36 -4.371 -4.545 4.550 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.632 -5.686 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.026 -4.446 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.169 -5.324 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.782 -6.561 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.122 -6.625 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.865 -7.992 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.966 -7.520 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.240 -9.770 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.491 -8.719 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.910 -10.305 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.454 -8.727 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.180 -9.746 7.504 1.00 0.00 H new ATOM 501 N THR A 37 -5.755 -2.522 6.447 1.00 0.00 N ATOM 502 CA THR A 37 -6.265 -1.215 6.842 1.00 0.00 C ATOM 503 C THR A 37 -5.289 -0.107 6.464 1.00 0.00 C ATOM 504 O THR A 37 -4.114 -0.363 6.205 1.00 0.00 O ATOM 505 CB THR A 37 -6.534 -1.152 8.358 1.00 0.00 C ATOM 506 OG1 THR A 37 -7.175 0.084 8.691 1.00 0.00 O ATOM 507 CG2 THR A 37 -5.238 -1.285 9.143 1.00 0.00 C ATOM 0 H THR A 37 -4.760 -2.536 6.224 1.00 0.00 H new ATOM 0 HA THR A 37 -7.203 -1.067 6.307 1.00 0.00 H new ATOM 0 HB THR A 37 -7.188 -1.983 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.344 0.115 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.453 -1.238 10.211 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.768 -2.240 8.909 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.564 -0.473 8.872 1.00 0.00 H new ATOM 515 N ALA A 38 -5.784 1.126 6.436 1.00 0.00 N ATOM 516 CA ALA A 38 -4.954 2.274 6.092 1.00 0.00 C ATOM 517 C ALA A 38 -3.619 2.227 6.827 1.00 0.00 C ATOM 518 O ALA A 38 -2.560 2.148 6.204 1.00 0.00 O ATOM 519 CB ALA A 38 -5.687 3.569 6.410 1.00 0.00 C ATOM 0 H ALA A 38 -6.755 1.355 6.647 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.751 2.236 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.056 4.418 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.612 3.614 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.919 3.604 7.474 1.00 0.00 H new ATOM 525 N GLU A 39 -3.677 2.275 8.154 1.00 0.00 N ATOM 526 CA GLU A 39 -2.470 2.239 8.973 1.00 0.00 C ATOM 527 C GLU A 39 -1.411 1.340 8.341 1.00 0.00 C ATOM 528 O GLU A 39 -0.319 1.795 8.002 1.00 0.00 O ATOM 529 CB GLU A 39 -2.799 1.745 10.383 1.00 0.00 C ATOM 530 CG GLU A 39 -3.853 2.579 11.090 1.00 0.00 C ATOM 531 CD GLU A 39 -4.081 2.139 12.523 1.00 0.00 C ATOM 532 OE1 GLU A 39 -4.855 1.182 12.733 1.00 0.00 O ATOM 533 OE2 GLU A 39 -3.486 2.752 13.434 1.00 0.00 O ATOM 0 H GLU A 39 -4.546 2.339 8.685 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.072 3.252 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.143 0.712 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.887 1.744 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.550 3.626 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.792 2.513 10.540 1.00 0.00 H new ATOM 540 N GLU A 40 -1.743 0.062 8.186 1.00 0.00 N ATOM 541 CA GLU A 40 -0.820 -0.901 7.597 1.00 0.00 C ATOM 542 C GLU A 40 -0.125 -0.310 6.374 1.00 0.00 C ATOM 543 O GLU A 40 1.094 -0.401 6.235 1.00 0.00 O ATOM 544 CB GLU A 40 -1.563 -2.180 7.206 1.00 0.00 C ATOM 545 CG GLU A 40 -1.606 -3.221 8.312 1.00 0.00 C ATOM 546 CD GLU A 40 -2.601 -2.874 9.402 1.00 0.00 C ATOM 547 OE1 GLU A 40 -2.571 -1.724 9.888 1.00 0.00 O ATOM 548 OE2 GLU A 40 -3.409 -3.752 9.770 1.00 0.00 O ATOM 0 H GLU A 40 -2.644 -0.330 8.460 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.063 -1.143 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.583 -1.924 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.084 -2.614 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.865 -4.190 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.613 -3.321 8.750 1.00 0.00 H new ATOM 555 N ALA A 41 -0.911 0.296 5.489 1.00 0.00 N ATOM 556 CA ALA A 41 -0.372 0.903 4.279 1.00 0.00 C ATOM 557 C ALA A 41 0.717 1.918 4.611 1.00 0.00 C ATOM 558 O ALA A 41 1.771 1.943 3.976 1.00 0.00 O ATOM 559 CB ALA A 41 -1.485 1.564 3.479 1.00 0.00 C ATOM 0 H ALA A 41 -1.923 0.379 5.588 1.00 0.00 H new ATOM 0 HA ALA A 41 0.076 0.113 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.068 2.013 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.227 0.816 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.958 2.337 4.084 1.00 0.00 H new ATOM 565 N LEU A 42 0.455 2.753 5.610 1.00 0.00 N ATOM 566 CA LEU A 42 1.413 3.772 6.027 1.00 0.00 C ATOM 567 C LEU A 42 2.745 3.139 6.414 1.00 0.00 C ATOM 568 O LEU A 42 3.810 3.669 6.098 1.00 0.00 O ATOM 569 CB LEU A 42 0.855 4.573 7.204 1.00 0.00 C ATOM 570 CG LEU A 42 0.021 5.804 6.843 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.900 6.882 6.230 1.00 0.00 C ATOM 572 CD2 LEU A 42 -1.104 5.425 5.892 1.00 0.00 C ATOM 0 H LEU A 42 -0.412 2.745 6.147 1.00 0.00 H new ATOM 0 HA LEU A 42 1.581 4.444 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.241 3.908 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.690 4.894 7.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.421 6.201 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.290 7.750 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.670 7.174 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.371 6.497 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.687 6.313 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.683 5.003 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.750 4.687 6.368 1.00 0.00 H new ATOM 584 N ALA A 43 2.678 2.002 7.099 1.00 0.00 N ATOM 585 CA ALA A 43 3.879 1.295 7.525 1.00 0.00 C ATOM 586 C ALA A 43 4.709 0.849 6.326 1.00 0.00 C ATOM 587 O ALA A 43 5.928 0.707 6.421 1.00 0.00 O ATOM 588 CB ALA A 43 3.509 0.098 8.388 1.00 0.00 C ATOM 0 H ALA A 43 1.804 1.551 7.371 1.00 0.00 H new ATOM 0 HA ALA A 43 4.484 1.982 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.416 -0.421 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.966 0.439 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.880 -0.583 7.815 1.00 0.00 H new ATOM 594 N TRP A 44 4.040 0.628 5.200 1.00 0.00 N ATOM 595 CA TRP A 44 4.717 0.197 3.982 1.00 0.00 C ATOM 596 C TRP A 44 5.198 1.396 3.173 1.00 0.00 C ATOM 597 O TRP A 44 6.196 1.313 2.455 1.00 0.00 O ATOM 598 CB TRP A 44 3.781 -0.665 3.132 1.00 0.00 C ATOM 599 CG TRP A 44 4.433 -1.209 1.897 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.909 -2.476 1.712 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.681 -0.503 0.677 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.439 -2.600 0.451 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.311 -1.404 -0.205 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.432 0.801 0.242 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.694 -1.039 -1.493 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.813 1.162 -1.036 1.00 0.00 C ATOM 607 CH2 TRP A 44 5.437 0.244 -1.892 1.00 0.00 C ATOM 0 H TRP A 44 3.031 0.740 5.105 1.00 0.00 H new ATOM 0 HA TRP A 44 5.586 -0.396 4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.414 -1.495 3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.913 -0.072 2.845 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.874 -3.265 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.860 -3.445 0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.950 1.515 0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.177 -1.744 -2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.627 2.168 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.721 0.556 -2.886 1.00 0.00 H new ATOM 618 N LEU A 45 4.485 2.510 3.293 1.00 0.00 N ATOM 619 CA LEU A 45 4.841 3.728 2.573 1.00 0.00 C ATOM 620 C LEU A 45 6.053 4.401 3.207 1.00 0.00 C ATOM 621 O LEU A 45 6.911 4.945 2.510 1.00 0.00 O ATOM 622 CB LEU A 45 3.657 4.697 2.553 1.00 0.00 C ATOM 623 CG LEU A 45 2.426 4.236 1.772 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.198 5.026 2.197 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.661 4.377 0.275 1.00 0.00 C ATOM 0 H LEU A 45 3.657 2.595 3.882 1.00 0.00 H new ATOM 0 HA LEU A 45 5.095 3.454 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.357 4.894 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.995 5.644 2.133 1.00 0.00 H new ATOM 0 HG LEU A 45 2.251 3.183 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.332 4.684 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.018 4.875 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.363 6.086 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.775 4.044 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.862 5.421 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.515 3.767 -0.018 1.00 0.00 H new ATOM 637 N HIS A 46 6.120 4.360 4.534 1.00 0.00 N ATOM 638 CA HIS A 46 7.230 4.964 5.263 1.00 0.00 C ATOM 639 C HIS A 46 8.540 4.249 4.948 1.00 0.00 C ATOM 640 O HIS A 46 9.617 4.839 5.035 1.00 0.00 O ATOM 641 CB HIS A 46 6.962 4.924 6.768 1.00 0.00 C ATOM 642 CG HIS A 46 6.202 6.111 7.273 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.801 7.319 7.564 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.885 6.273 7.537 1.00 0.00 C ATOM 645 CE1 HIS A 46 5.885 8.171 7.987 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.713 7.562 7.980 1.00 0.00 N ATOM 0 H HIS A 46 5.419 3.915 5.126 1.00 0.00 H new ATOM 0 HA HIS A 46 7.318 6.003 4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.404 4.018 7.005 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.913 4.860 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.112 5.527 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.064 9.193 8.288 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.825 7.980 8.258 1.00 0.00 H new ATOM 655 N ASP A 47 8.440 2.975 4.583 1.00 0.00 N ATOM 656 CA ASP A 47 9.617 2.179 4.255 1.00 0.00 C ATOM 657 C ASP A 47 9.861 2.164 2.750 1.00 0.00 C ATOM 658 O ASP A 47 11.005 2.117 2.296 1.00 0.00 O ATOM 659 CB ASP A 47 9.452 0.749 4.772 1.00 0.00 C ATOM 660 CG ASP A 47 10.778 0.107 5.133 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.651 0.816 5.675 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.941 -1.103 4.873 1.00 0.00 O ATOM 0 H ASP A 47 7.556 2.472 4.507 1.00 0.00 H new ATOM 0 HA ASP A 47 10.480 2.635 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.804 0.755 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.955 0.146 4.012 1.00 0.00 H new ATOM 667 N HIS A 48 8.778 2.204 1.980 1.00 0.00 N ATOM 668 CA HIS A 48 8.874 2.195 0.524 1.00 0.00 C ATOM 669 C HIS A 48 8.635 3.590 -0.045 1.00 0.00 C ATOM 670 O HIS A 48 7.920 3.752 -1.035 1.00 0.00 O ATOM 671 CB HIS A 48 7.867 1.209 -0.068 1.00 0.00 C ATOM 672 CG HIS A 48 8.219 -0.226 0.175 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.674 -1.068 -0.818 1.00 0.00 N ATOM 674 CD2 HIS A 48 8.182 -0.967 1.306 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.900 -2.265 -0.308 1.00 0.00 C ATOM 676 NE2 HIS A 48 8.610 -2.231 0.980 1.00 0.00 N ATOM 0 H HIS A 48 7.824 2.243 2.340 1.00 0.00 H new ATOM 0 HA HIS A 48 9.881 1.880 0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.883 1.410 0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.793 1.379 -1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.873 -0.628 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.261 -3.126 -0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.691 -3.015 1.627 1.00 0.00 H new ATOM 685 N CYS A 49 9.235 4.592 0.586 1.00 0.00 N ATOM 686 CA CYS A 49 9.086 5.974 0.143 1.00 0.00 C ATOM 687 C CYS A 49 10.347 6.458 -0.564 1.00 0.00 C ATOM 688 O CYS A 49 10.276 7.193 -1.548 1.00 0.00 O ATOM 689 CB CYS A 49 8.773 6.882 1.334 1.00 0.00 C ATOM 690 SG CYS A 49 9.759 6.531 2.808 1.00 0.00 S ATOM 0 H CYS A 49 9.830 4.474 1.406 1.00 0.00 H new ATOM 0 HA CYS A 49 8.257 6.016 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.936 7.919 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.717 6.784 1.585 1.00 0.00 H new ATOM 0 HG CYS A 49 9.424 7.351 3.760 1.00 0.00 H new ATOM 696 N ASN A 50 11.502 6.042 -0.053 1.00 0.00 N ATOM 697 CA ASN A 50 12.780 6.435 -0.634 1.00 0.00 C ATOM 698 C ASN A 50 13.151 5.524 -1.801 1.00 0.00 C ATOM 699 O ASN A 50 14.318 5.181 -1.988 1.00 0.00 O ATOM 700 CB ASN A 50 13.881 6.395 0.428 1.00 0.00 C ATOM 701 CG ASN A 50 13.791 7.557 1.398 1.00 0.00 C ATOM 702 OD1 ASN A 50 14.220 8.670 1.092 1.00 0.00 O ATOM 703 ND2 ASN A 50 13.230 7.304 2.575 1.00 0.00 N ATOM 0 H ASN A 50 11.578 5.433 0.762 1.00 0.00 H new ATOM 0 HA ASN A 50 12.682 7.454 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.815 5.458 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.855 6.408 -0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.141 8.047 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.888 6.366 2.786 1.00 0.00 H new ATOM 710 N ASP A 51 12.149 5.137 -2.583 1.00 0.00 N ATOM 711 CA ASP A 51 12.369 4.267 -3.732 1.00 0.00 C ATOM 712 C ASP A 51 12.463 5.081 -5.019 1.00 0.00 C ATOM 713 O ASP A 51 11.741 6.057 -5.219 1.00 0.00 O ATOM 714 CB ASP A 51 11.241 3.240 -3.845 1.00 0.00 C ATOM 715 CG ASP A 51 11.704 1.937 -4.466 1.00 0.00 C ATOM 716 OD1 ASP A 51 12.630 1.311 -3.910 1.00 0.00 O ATOM 717 OD2 ASP A 51 11.142 1.544 -5.510 1.00 0.00 O ATOM 0 H ASP A 51 11.177 5.412 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 51 13.313 3.743 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.833 3.042 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.432 3.658 -4.445 1.00 0.00 H new ATOM 722 N PRO A 52 13.375 4.671 -5.914 1.00 0.00 N ATOM 723 CA PRO A 52 13.585 5.348 -7.196 1.00 0.00 C ATOM 724 C PRO A 52 12.415 5.153 -8.154 1.00 0.00 C ATOM 725 O PRO A 52 11.959 6.101 -8.793 1.00 0.00 O ATOM 726 CB PRO A 52 14.846 4.678 -7.749 1.00 0.00 C ATOM 727 CG PRO A 52 14.872 3.334 -7.108 1.00 0.00 C ATOM 728 CD PRO A 52 14.270 3.514 -5.741 1.00 0.00 C ATOM 0 HA PRO A 52 13.677 6.427 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.808 4.598 -8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.740 5.252 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.302 2.612 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.892 2.955 -7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.723 2.627 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.034 3.705 -4.987 1.00 0.00 H new ATOM 736 N SER A 53 11.933 3.918 -8.248 1.00 0.00 N ATOM 737 CA SER A 53 10.817 3.598 -9.131 1.00 0.00 C ATOM 738 C SER A 53 9.530 4.254 -8.640 1.00 0.00 C ATOM 739 O SER A 53 8.547 4.347 -9.375 1.00 0.00 O ATOM 740 CB SER A 53 10.629 2.083 -9.221 1.00 0.00 C ATOM 741 OG SER A 53 11.495 1.517 -10.189 1.00 0.00 O ATOM 0 H SER A 53 12.298 3.123 -7.724 1.00 0.00 H new ATOM 0 HA SER A 53 11.047 3.988 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.822 1.631 -8.248 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.594 1.857 -9.478 1.00 0.00 H new ATOM 0 HG SER A 53 11.356 0.548 -10.225 1.00 0.00 H new ATOM 747 N LEU A 54 9.545 4.708 -7.391 1.00 0.00 N ATOM 748 CA LEU A 54 8.380 5.356 -6.799 1.00 0.00 C ATOM 749 C LEU A 54 8.506 6.874 -6.872 1.00 0.00 C ATOM 750 O LEU A 54 8.228 7.577 -5.900 1.00 0.00 O ATOM 751 CB LEU A 54 8.211 4.916 -5.344 1.00 0.00 C ATOM 752 CG LEU A 54 7.906 3.434 -5.122 1.00 0.00 C ATOM 753 CD1 LEU A 54 7.853 3.117 -3.636 1.00 0.00 C ATOM 754 CD2 LEU A 54 6.597 3.052 -5.798 1.00 0.00 C ATOM 0 H LEU A 54 10.351 4.639 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 54 7.500 5.055 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.124 5.164 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.407 5.502 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 54 8.708 2.847 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.635 2.058 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.814 3.352 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.072 3.713 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.396 1.994 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.785 3.647 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.672 3.241 -6.869 1.00 0.00 H new ATOM 766 N ASP A 55 8.924 7.373 -8.030 1.00 0.00 N ATOM 767 CA ASP A 55 9.083 8.809 -8.230 1.00 0.00 C ATOM 768 C ASP A 55 7.744 9.528 -8.101 1.00 0.00 C ATOM 769 O ASP A 55 6.797 9.234 -8.831 1.00 0.00 O ATOM 770 CB ASP A 55 9.695 9.089 -9.604 1.00 0.00 C ATOM 771 CG ASP A 55 9.922 10.568 -9.847 1.00 0.00 C ATOM 772 OD1 ASP A 55 8.925 11.310 -9.958 1.00 0.00 O ATOM 773 OD2 ASP A 55 11.098 10.983 -9.926 1.00 0.00 O ATOM 0 H ASP A 55 9.159 6.805 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 55 9.753 9.186 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.644 8.560 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.038 8.693 -10.378 1.00 0.00 H new ATOM 778 N ASP A 56 7.672 10.470 -7.167 1.00 0.00 N ATOM 779 CA ASP A 56 6.449 11.231 -6.941 1.00 0.00 C ATOM 780 C ASP A 56 6.768 12.637 -6.442 1.00 0.00 C ATOM 781 O ASP A 56 7.787 12.876 -5.793 1.00 0.00 O ATOM 782 CB ASP A 56 5.553 10.510 -5.933 1.00 0.00 C ATOM 783 CG ASP A 56 5.342 9.051 -6.285 1.00 0.00 C ATOM 784 OD1 ASP A 56 4.716 8.778 -7.330 1.00 0.00 O ATOM 785 OD2 ASP A 56 5.803 8.182 -5.516 1.00 0.00 O ATOM 0 H ASP A 56 8.446 10.725 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 56 5.921 11.313 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.998 10.580 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.587 11.013 -5.886 1.00 0.00 H new ATOM 790 N PRO A 57 5.879 13.592 -6.752 1.00 0.00 N ATOM 791 CA PRO A 57 6.044 14.990 -6.346 1.00 0.00 C ATOM 792 C PRO A 57 5.872 15.182 -4.843 1.00 0.00 C ATOM 793 O PRO A 57 5.983 16.297 -4.333 1.00 0.00 O ATOM 794 CB PRO A 57 4.931 15.715 -7.108 1.00 0.00 C ATOM 795 CG PRO A 57 3.895 14.672 -7.347 1.00 0.00 C ATOM 796 CD PRO A 57 4.642 13.379 -7.523 1.00 0.00 C ATOM 0 HA PRO A 57 7.044 15.363 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.530 16.546 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.299 16.130 -8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.202 14.611 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.304 14.905 -8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.073 12.531 -7.143 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.853 13.176 -8.573 1.00 0.00 H new ATOM 804 N ILE A 58 5.602 14.087 -4.139 1.00 0.00 N ATOM 805 CA ILE A 58 5.417 14.136 -2.694 1.00 0.00 C ATOM 806 C ILE A 58 6.619 14.776 -2.007 1.00 0.00 C ATOM 807 O ILE A 58 7.767 14.468 -2.328 1.00 0.00 O ATOM 808 CB ILE A 58 5.194 12.729 -2.108 1.00 0.00 C ATOM 809 CG1 ILE A 58 3.963 12.078 -2.743 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.040 12.804 -0.596 1.00 0.00 C ATOM 811 CD1 ILE A 58 2.701 12.898 -2.595 1.00 0.00 C ATOM 0 H ILE A 58 5.507 13.156 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 58 4.531 14.743 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 58 6.065 12.114 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.156 11.912 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.806 11.099 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.883 11.802 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.942 13.232 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.184 13.432 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.870 12.375 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.483 13.043 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.839 13.868 -3.073 1.00 0.00 H new ATOM 823 N SER A 59 6.346 15.666 -1.058 1.00 0.00 N ATOM 824 CA SER A 59 7.405 16.351 -0.326 1.00 0.00 C ATOM 825 C SER A 59 8.514 15.378 0.062 1.00 0.00 C ATOM 826 O SER A 59 8.319 14.163 0.059 1.00 0.00 O ATOM 827 CB SER A 59 6.837 17.021 0.926 1.00 0.00 C ATOM 828 OG SER A 59 5.963 18.083 0.584 1.00 0.00 O ATOM 0 H SER A 59 5.401 15.929 -0.778 1.00 0.00 H new ATOM 0 HA SER A 59 7.828 17.115 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.302 16.284 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.653 17.401 1.541 1.00 0.00 H new ATOM 0 HG SER A 59 5.612 18.494 1.402 1.00 0.00 H new ATOM 834 N GLY A 60 9.680 15.923 0.397 1.00 0.00 N ATOM 835 CA GLY A 60 10.804 15.090 0.784 1.00 0.00 C ATOM 836 C GLY A 60 10.584 14.400 2.116 1.00 0.00 C ATOM 837 O GLY A 60 9.624 14.681 2.833 1.00 0.00 O ATOM 0 H GLY A 60 9.866 16.926 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.977 14.339 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.704 15.703 0.840 1.00 0.00 H new ATOM 841 N PRO A 61 11.489 13.473 2.463 1.00 0.00 N ATOM 842 CA PRO A 61 11.409 12.721 3.719 1.00 0.00 C ATOM 843 C PRO A 61 11.693 13.595 4.936 1.00 0.00 C ATOM 844 O PRO A 61 11.717 13.111 6.068 1.00 0.00 O ATOM 845 CB PRO A 61 12.495 11.654 3.563 1.00 0.00 C ATOM 846 CG PRO A 61 13.468 12.242 2.600 1.00 0.00 C ATOM 847 CD PRO A 61 12.659 13.087 1.657 1.00 0.00 C ATOM 0 HA PRO A 61 10.412 12.313 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.970 11.430 4.518 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.080 10.719 3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.215 12.843 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.004 11.461 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.219 13.959 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.368 12.529 0.767 1.00 0.00 H new ATOM 855 N SER A 62 11.906 14.885 4.696 1.00 0.00 N ATOM 856 CA SER A 62 12.192 15.826 5.773 1.00 0.00 C ATOM 857 C SER A 62 11.760 17.238 5.390 1.00 0.00 C ATOM 858 O SER A 62 11.870 17.640 4.232 1.00 0.00 O ATOM 859 CB SER A 62 13.684 15.811 6.110 1.00 0.00 C ATOM 860 OG SER A 62 14.067 14.567 6.672 1.00 0.00 O ATOM 0 H SER A 62 11.886 15.302 3.766 1.00 0.00 H new ATOM 0 HA SER A 62 11.625 15.517 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.266 16.001 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.910 16.615 6.810 1.00 0.00 H new ATOM 0 HG SER A 62 13.297 13.961 6.681 1.00 0.00 H new ATOM 866 N SER A 63 11.267 17.986 6.372 1.00 0.00 N ATOM 867 CA SER A 63 10.814 19.352 6.138 1.00 0.00 C ATOM 868 C SER A 63 11.934 20.202 5.544 1.00 0.00 C ATOM 869 O SER A 63 11.731 20.919 4.565 1.00 0.00 O ATOM 870 CB SER A 63 10.320 19.979 7.443 1.00 0.00 C ATOM 871 OG SER A 63 11.356 20.027 8.409 1.00 0.00 O ATOM 0 H SER A 63 11.171 17.669 7.337 1.00 0.00 H new ATOM 0 HA SER A 63 9.990 19.318 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.952 20.986 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.481 19.402 7.833 1.00 0.00 H new ATOM 0 HG SER A 63 11.016 20.433 9.233 1.00 0.00 H new ATOM 877 N GLY A 64 13.117 20.114 6.145 1.00 0.00 N ATOM 878 CA GLY A 64 14.252 20.879 5.663 1.00 0.00 C ATOM 879 C GLY A 64 15.575 20.317 6.142 1.00 0.00 C ATOM 880 O GLY A 64 16.542 21.056 6.323 1.00 0.00 O ATOM 0 H GLY A 64 13.309 19.527 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.240 20.893 4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.158 21.912 5.996 1.00 0.00 H new TER 884 GLY A 64