USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 475 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 17 HIS : no HD1:sc= 0.58 K(o=1.8,f=-7.5!) USER MOD Set 1.2: A 62 TYR OH : rot -174:sc= 1.25 USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= 0.823 USER MOD Set 2.2: A 13 SER OG : rot 86:sc= 0.515 USER MOD Set 2.3: A 14 CYS SG : rot 93:sc= -0.0966 USER MOD Set 3.1: A 7 THR OG1 : rot -138:sc= 0.0907 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.0867 USER MOD Set 4.1: A 3 HIS : no HD1:sc= 0.43 K(o=0.99,f=-5.9!) USER MOD Set 4.2: A 41 GLN : amide:sc= 0.557 K(o=0.99,f=-3.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -134:sc= -1.87 (180deg=-7.32!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= 2.52 (180deg=-0.642) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.0599 (180deg=-0.47) USER MOD Single : A 29 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 48 THR OG1 : rot 140:sc= -0.145 USER MOD Single : A 49 SER OG : rot 180:sc= 0.139 USER MOD Single : A 54 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.782 0.314 -2.716 1.00 0.00 N ATOM 35 CA HIS A 3 -5.183 0.427 -2.369 1.00 0.00 C ATOM 36 C HIS A 3 -5.950 0.983 -3.548 1.00 0.00 C ATOM 37 O HIS A 3 -5.510 1.930 -4.190 1.00 0.00 O ATOM 38 CB HIS A 3 -5.381 1.338 -1.159 1.00 0.00 C ATOM 39 CG HIS A 3 -4.557 0.956 0.033 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.569 1.759 0.563 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.576 -0.161 0.797 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.020 1.154 1.596 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.611 -0.013 1.758 1.00 0.00 N ATOM 0 HA HIS A 3 -5.554 -0.566 -2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.137 2.361 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.434 1.328 -0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.230 -1.011 0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.221 1.547 2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.386 -0.696 2.482 1.00 0.00 H new ATOM 52 N LEU A 4 -7.082 0.392 -3.840 1.00 0.00 N ATOM 53 CA LEU A 4 -7.935 0.886 -4.907 1.00 0.00 C ATOM 54 C LEU A 4 -9.171 1.514 -4.307 1.00 0.00 C ATOM 55 O LEU A 4 -9.754 0.978 -3.367 1.00 0.00 O ATOM 56 CB LEU A 4 -8.331 -0.233 -5.866 1.00 0.00 C ATOM 57 CG LEU A 4 -7.766 -0.102 -7.282 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.301 -0.515 -7.316 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.581 -0.939 -8.256 1.00 0.00 C ATOM 0 H LEU A 4 -7.439 -0.432 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.380 1.631 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.002 -1.184 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.419 -0.271 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.832 0.943 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.918 -0.415 -8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.727 0.126 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.208 -1.552 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.167 -0.836 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.545 -1.986 -7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.616 -0.596 -8.253 1.00 0.00 H new ATOM 71 N LYS A 5 -9.563 2.644 -4.844 1.00 0.00 N ATOM 72 CA LYS A 5 -10.674 3.394 -4.286 1.00 0.00 C ATOM 73 C LYS A 5 -11.948 3.136 -5.062 1.00 0.00 C ATOM 74 O LYS A 5 -11.996 3.287 -6.283 1.00 0.00 O ATOM 75 CB LYS A 5 -10.372 4.888 -4.268 1.00 0.00 C ATOM 76 CG LYS A 5 -10.403 5.505 -2.876 1.00 0.00 C ATOM 77 CD LYS A 5 -11.778 5.392 -2.228 1.00 0.00 C ATOM 78 CE LYS A 5 -12.767 6.383 -2.824 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.357 7.278 -1.793 1.00 0.00 N ATOM 0 H LYS A 5 -9.133 3.068 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.815 3.054 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.389 5.056 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.096 5.403 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.664 5.012 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.118 6.555 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.158 4.378 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.690 5.567 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.264 6.985 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.565 5.838 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.024 7.936 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.860 6.707 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.600 7.818 -1.328 1.00 0.00 H new ATOM 93 N ILE A 6 -12.971 2.753 -4.334 1.00 0.00 N ATOM 94 CA ILE A 6 -14.268 2.487 -4.917 1.00 0.00 C ATOM 95 C ILE A 6 -15.046 3.797 -5.032 1.00 0.00 C ATOM 96 O ILE A 6 -15.230 4.506 -4.042 1.00 0.00 O ATOM 97 CB ILE A 6 -15.053 1.441 -4.075 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.766 0.028 -4.589 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.550 1.707 -4.099 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.428 -0.522 -4.144 1.00 0.00 C ATOM 0 H ILE A 6 -12.929 2.617 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.134 2.065 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.715 1.529 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.556 -0.641 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.803 0.033 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -17.063 0.955 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.750 2.697 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.911 1.660 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.295 -1.526 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.629 0.124 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.394 -0.560 -3.055 1.00 0.00 H new ATOM 112 N THR A 7 -15.455 4.137 -6.245 1.00 0.00 N ATOM 113 CA THR A 7 -16.185 5.370 -6.480 1.00 0.00 C ATOM 114 C THR A 7 -17.535 5.066 -7.121 1.00 0.00 C ATOM 115 O THR A 7 -17.667 4.117 -7.905 1.00 0.00 O ATOM 116 CB THR A 7 -15.375 6.326 -7.377 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.021 5.858 -7.486 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.382 7.740 -6.814 1.00 0.00 C ATOM 0 H THR A 7 -15.293 3.575 -7.081 1.00 0.00 H new ATOM 0 HA THR A 7 -16.349 5.859 -5.520 1.00 0.00 H new ATOM 0 HB THR A 7 -15.839 6.345 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.406 6.619 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.803 8.394 -7.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.408 8.103 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.940 7.737 -5.818 1.00 0.00 H new ATOM 126 N GLY A 8 -18.538 5.851 -6.765 1.00 0.00 N ATOM 127 CA GLY A 8 -19.886 5.584 -7.214 1.00 0.00 C ATOM 128 C GLY A 8 -20.591 4.652 -6.258 1.00 0.00 C ATOM 129 O GLY A 8 -21.709 4.913 -5.829 1.00 0.00 O ATOM 0 H GLY A 8 -18.441 6.673 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.440 6.519 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.862 5.142 -8.210 1.00 0.00 H new ATOM 133 N MET A 9 -19.928 3.551 -5.941 1.00 0.00 N ATOM 134 CA MET A 9 -20.419 2.609 -4.947 1.00 0.00 C ATOM 135 C MET A 9 -19.953 3.028 -3.555 1.00 0.00 C ATOM 136 O MET A 9 -18.966 3.752 -3.429 1.00 0.00 O ATOM 137 CB MET A 9 -19.938 1.207 -5.273 1.00 0.00 C ATOM 138 CG MET A 9 -20.019 0.895 -6.747 1.00 0.00 C ATOM 139 SD MET A 9 -18.985 -0.505 -7.209 1.00 0.00 S ATOM 140 CE MET A 9 -17.384 0.290 -7.309 1.00 0.00 C ATOM 0 H MET A 9 -19.038 3.286 -6.363 1.00 0.00 H new ATOM 0 HA MET A 9 -21.509 2.611 -4.963 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.907 1.093 -4.937 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.536 0.483 -4.719 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.054 0.683 -7.015 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.715 1.772 -7.319 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.879 -0.023 -8.223 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.515 1.372 -7.320 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.782 0.006 -6.446 1.00 0.00 H new ATOM 150 N THR A 10 -20.651 2.590 -2.512 1.00 0.00 N ATOM 151 CA THR A 10 -20.288 2.978 -1.161 1.00 0.00 C ATOM 152 C THR A 10 -20.511 1.852 -0.146 1.00 0.00 C ATOM 153 O THR A 10 -20.710 2.115 1.040 1.00 0.00 O ATOM 154 CB THR A 10 -21.120 4.188 -0.720 1.00 0.00 C ATOM 155 OG1 THR A 10 -21.855 4.721 -1.832 1.00 0.00 O ATOM 156 CG2 THR A 10 -20.242 5.272 -0.112 1.00 0.00 C ATOM 0 H THR A 10 -21.461 1.974 -2.578 1.00 0.00 H new ATOM 0 HA THR A 10 -19.225 3.219 -1.183 1.00 0.00 H new ATOM 0 HB THR A 10 -21.820 3.849 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.383 5.492 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 10 -20.862 6.116 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 10 -19.722 4.873 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.511 5.605 -0.849 1.00 0.00 H new ATOM 164 N CYS A 11 -20.463 0.603 -0.590 1.00 0.00 N ATOM 165 CA CYS A 11 -20.784 -0.505 0.303 1.00 0.00 C ATOM 166 C CYS A 11 -20.111 -1.808 -0.114 1.00 0.00 C ATOM 167 O CYS A 11 -19.705 -1.974 -1.266 1.00 0.00 O ATOM 168 CB CYS A 11 -22.294 -0.707 0.340 1.00 0.00 C ATOM 169 SG CYS A 11 -23.020 -1.035 -1.280 1.00 0.00 S ATOM 0 H CYS A 11 -20.211 0.334 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 11 -20.406 -0.244 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -22.525 -1.538 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -22.761 0.182 0.765 1.00 0.00 H new ATOM 0 HG CYS A 11 -24.304 -1.196 -1.156 1.00 0.00 H new ATOM 175 N ASP A 12 -20.000 -2.720 0.854 1.00 0.00 N ATOM 176 CA ASP A 12 -19.469 -4.072 0.640 1.00 0.00 C ATOM 177 C ASP A 12 -20.166 -4.784 -0.517 1.00 0.00 C ATOM 178 O ASP A 12 -19.525 -5.493 -1.287 1.00 0.00 O ATOM 179 CB ASP A 12 -19.618 -4.893 1.932 1.00 0.00 C ATOM 180 CG ASP A 12 -20.060 -6.329 1.696 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.276 -6.565 1.562 1.00 0.00 O ATOM 182 OD2 ASP A 12 -19.190 -7.226 1.629 1.00 0.00 O ATOM 0 H ASP A 12 -20.278 -2.541 1.819 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.415 -3.981 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -18.665 -4.898 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.341 -4.402 2.583 1.00 0.00 H new ATOM 187 N SER A 13 -21.477 -4.582 -0.636 1.00 0.00 N ATOM 188 CA SER A 13 -22.269 -5.236 -1.677 1.00 0.00 C ATOM 189 C SER A 13 -21.740 -4.884 -3.066 1.00 0.00 C ATOM 190 O SER A 13 -21.875 -5.659 -4.013 1.00 0.00 O ATOM 191 CB SER A 13 -23.736 -4.825 -1.539 1.00 0.00 C ATOM 192 OG SER A 13 -23.960 -4.183 -0.290 1.00 0.00 O ATOM 0 H SER A 13 -22.015 -3.969 -0.023 1.00 0.00 H new ATOM 0 HA SER A 13 -22.188 -6.316 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.010 -4.154 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.375 -5.704 -1.622 1.00 0.00 H new ATOM 0 HG SER A 13 -23.753 -3.229 -0.371 1.00 0.00 H new ATOM 198 N CYS A 14 -21.128 -3.717 -3.164 1.00 0.00 N ATOM 199 CA CYS A 14 -20.532 -3.253 -4.402 1.00 0.00 C ATOM 200 C CYS A 14 -19.042 -3.578 -4.429 1.00 0.00 C ATOM 201 O CYS A 14 -18.495 -3.983 -5.458 1.00 0.00 O ATOM 202 CB CYS A 14 -20.749 -1.748 -4.517 1.00 0.00 C ATOM 203 SG CYS A 14 -22.464 -1.269 -4.831 1.00 0.00 S ATOM 0 H CYS A 14 -21.031 -3.065 -2.386 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.002 -3.757 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.413 -1.272 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.123 -1.362 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.062 -1.033 -3.701 1.00 0.00 H new ATOM 209 N ALA A 15 -18.402 -3.414 -3.276 1.00 0.00 N ATOM 210 CA ALA A 15 -16.977 -3.673 -3.120 1.00 0.00 C ATOM 211 C ALA A 15 -16.638 -5.129 -3.426 1.00 0.00 C ATOM 212 O ALA A 15 -15.539 -5.434 -3.892 1.00 0.00 O ATOM 213 CB ALA A 15 -16.545 -3.307 -1.709 1.00 0.00 C ATOM 0 H ALA A 15 -18.859 -3.097 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.433 -3.056 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.479 -3.501 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.743 -2.250 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.103 -3.907 -0.990 1.00 0.00 H new ATOM 219 N ALA A 16 -17.594 -6.016 -3.182 1.00 0.00 N ATOM 220 CA ALA A 16 -17.404 -7.440 -3.427 1.00 0.00 C ATOM 221 C ALA A 16 -17.146 -7.710 -4.904 1.00 0.00 C ATOM 222 O ALA A 16 -16.278 -8.506 -5.259 1.00 0.00 O ATOM 223 CB ALA A 16 -18.613 -8.227 -2.943 1.00 0.00 C ATOM 0 H ALA A 16 -18.513 -5.773 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.528 -7.768 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.456 -9.289 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.748 -8.066 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.503 -7.891 -3.475 1.00 0.00 H new ATOM 229 N HIS A 17 -17.884 -7.022 -5.764 1.00 0.00 N ATOM 230 CA HIS A 17 -17.726 -7.192 -7.203 1.00 0.00 C ATOM 231 C HIS A 17 -16.363 -6.687 -7.659 1.00 0.00 C ATOM 232 O HIS A 17 -15.724 -7.286 -8.528 1.00 0.00 O ATOM 233 CB HIS A 17 -18.837 -6.463 -7.959 1.00 0.00 C ATOM 234 CG HIS A 17 -19.412 -7.273 -9.081 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.191 -6.734 -10.084 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.307 -8.594 -9.361 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.538 -7.689 -10.926 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.015 -8.823 -10.512 1.00 0.00 N ATOM 0 H HIS A 17 -18.595 -6.343 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.795 -8.257 -7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.633 -6.203 -7.261 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.444 -5.528 -8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.766 -9.330 -8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.149 -7.561 -11.807 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.120 -9.727 -10.973 1.00 0.00 H new ATOM 247 N VAL A 18 -15.923 -5.586 -7.064 1.00 0.00 N ATOM 248 CA VAL A 18 -14.609 -5.030 -7.355 1.00 0.00 C ATOM 249 C VAL A 18 -13.522 -5.999 -6.908 1.00 0.00 C ATOM 250 O VAL A 18 -12.566 -6.259 -7.637 1.00 0.00 O ATOM 251 CB VAL A 18 -14.411 -3.675 -6.651 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.064 -3.068 -7.011 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.541 -2.724 -7.006 1.00 0.00 C ATOM 0 H VAL A 18 -16.459 -5.059 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.541 -4.874 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.426 -3.844 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.948 -2.112 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.266 -3.743 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.011 -2.914 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.387 -1.771 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.557 -2.565 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.491 -3.153 -6.688 1.00 0.00 H new ATOM 263 N LYS A 19 -13.695 -6.546 -5.712 1.00 0.00 N ATOM 264 CA LYS A 19 -12.771 -7.535 -5.180 1.00 0.00 C ATOM 265 C LYS A 19 -12.720 -8.760 -6.086 1.00 0.00 C ATOM 266 O LYS A 19 -11.652 -9.318 -6.331 1.00 0.00 O ATOM 267 CB LYS A 19 -13.191 -7.938 -3.762 1.00 0.00 C ATOM 268 CG LYS A 19 -12.225 -8.891 -3.080 1.00 0.00 C ATOM 269 CD LYS A 19 -12.771 -9.368 -1.744 1.00 0.00 C ATOM 270 CE LYS A 19 -12.740 -10.883 -1.633 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.457 -11.369 -1.061 1.00 0.00 N ATOM 0 H LYS A 19 -14.471 -6.319 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.774 -7.095 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.289 -7.039 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.176 -8.403 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.039 -9.749 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.267 -8.394 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.185 -8.932 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.795 -9.015 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.567 -11.218 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.888 -11.323 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.062 -12.110 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.785 -10.578 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.626 -11.760 -0.112 1.00 0.00 H new ATOM 285 N GLU A 20 -13.879 -9.161 -6.592 1.00 0.00 N ATOM 286 CA GLU A 20 -13.973 -10.295 -7.501 1.00 0.00 C ATOM 287 C GLU A 20 -13.240 -10.014 -8.803 1.00 0.00 C ATOM 288 O GLU A 20 -12.528 -10.878 -9.326 1.00 0.00 O ATOM 289 CB GLU A 20 -15.437 -10.614 -7.794 1.00 0.00 C ATOM 290 CG GLU A 20 -15.855 -12.010 -7.377 1.00 0.00 C ATOM 291 CD GLU A 20 -17.355 -12.139 -7.241 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.060 -12.082 -8.273 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.839 -12.293 -6.099 1.00 0.00 O ATOM 0 H GLU A 20 -14.772 -8.714 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.504 -11.153 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.067 -9.888 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.618 -10.495 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.495 -12.730 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.383 -12.261 -6.427 1.00 0.00 H new ATOM 300 N ALA A 21 -13.414 -8.806 -9.321 1.00 0.00 N ATOM 301 CA ALA A 21 -12.747 -8.406 -10.551 1.00 0.00 C ATOM 302 C ALA A 21 -11.240 -8.455 -10.360 1.00 0.00 C ATOM 303 O ALA A 21 -10.499 -8.876 -11.249 1.00 0.00 O ATOM 304 CB ALA A 21 -13.192 -7.015 -10.970 1.00 0.00 C ATOM 0 H ALA A 21 -14.010 -8.088 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.021 -9.101 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.683 -6.732 -11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.269 -7.012 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.943 -6.301 -10.185 1.00 0.00 H new ATOM 310 N LEU A 22 -10.803 -8.037 -9.182 1.00 0.00 N ATOM 311 CA LEU A 22 -9.394 -8.066 -8.829 1.00 0.00 C ATOM 312 C LEU A 22 -8.908 -9.504 -8.698 1.00 0.00 C ATOM 313 O LEU A 22 -7.877 -9.874 -9.252 1.00 0.00 O ATOM 314 CB LEU A 22 -9.149 -7.303 -7.526 1.00 0.00 C ATOM 315 CG LEU A 22 -9.040 -5.784 -7.680 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.574 -5.086 -6.441 1.00 0.00 C ATOM 317 CD2 LEU A 22 -7.599 -5.378 -7.944 1.00 0.00 C ATOM 0 H LEU A 22 -11.411 -7.671 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.832 -7.579 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.960 -7.526 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.231 -7.674 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.644 -5.478 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.489 -4.007 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.621 -5.353 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.996 -5.396 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.540 -4.295 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.973 -5.695 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.249 -5.853 -8.861 1.00 0.00 H new ATOM 329 N GLU A 23 -9.679 -10.316 -7.983 1.00 0.00 N ATOM 330 CA GLU A 23 -9.311 -11.704 -7.725 1.00 0.00 C ATOM 331 C GLU A 23 -9.410 -12.555 -8.987 1.00 0.00 C ATOM 332 O GLU A 23 -8.912 -13.682 -9.026 1.00 0.00 O ATOM 333 CB GLU A 23 -10.193 -12.289 -6.626 1.00 0.00 C ATOM 334 CG GLU A 23 -9.582 -12.172 -5.241 1.00 0.00 C ATOM 335 CD GLU A 23 -10.407 -12.863 -4.178 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.289 -13.669 -4.532 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.174 -12.610 -2.979 1.00 0.00 O ATOM 0 H GLU A 23 -10.568 -10.035 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.272 -11.716 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.157 -11.781 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.384 -13.340 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.580 -12.601 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.475 -11.118 -4.984 1.00 0.00 H new ATOM 344 N LYS A 24 -10.052 -12.016 -10.017 1.00 0.00 N ATOM 345 CA LYS A 24 -10.104 -12.683 -11.312 1.00 0.00 C ATOM 346 C LYS A 24 -8.741 -12.580 -11.985 1.00 0.00 C ATOM 347 O LYS A 24 -8.356 -13.427 -12.795 1.00 0.00 O ATOM 348 CB LYS A 24 -11.183 -12.048 -12.200 1.00 0.00 C ATOM 349 CG LYS A 24 -11.363 -12.740 -13.544 1.00 0.00 C ATOM 350 CD LYS A 24 -12.278 -11.947 -14.466 1.00 0.00 C ATOM 351 CE LYS A 24 -11.512 -11.318 -15.624 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.855 -12.337 -16.487 1.00 0.00 N ATOM 0 H LYS A 24 -10.542 -11.122 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.358 -13.733 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.133 -12.061 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.929 -11.002 -12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.391 -12.870 -14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.778 -13.736 -13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.055 -12.603 -14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.779 -11.165 -13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.196 -10.721 -16.227 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.757 -10.637 -15.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.751 -11.961 -17.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.917 -12.566 -16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.438 -13.198 -16.513 1.00 0.00 H new ATOM 366 N VAL A 25 -8.013 -11.539 -11.625 1.00 0.00 N ATOM 367 CA VAL A 25 -6.681 -11.307 -12.145 1.00 0.00 C ATOM 368 C VAL A 25 -5.649 -12.074 -11.319 1.00 0.00 C ATOM 369 O VAL A 25 -5.532 -11.868 -10.111 1.00 0.00 O ATOM 370 CB VAL A 25 -6.354 -9.799 -12.135 1.00 0.00 C ATOM 371 CG1 VAL A 25 -4.903 -9.544 -12.512 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.289 -9.045 -13.071 1.00 0.00 C ATOM 0 H VAL A 25 -8.330 -10.831 -10.963 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.644 -11.665 -13.174 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.504 -9.432 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.706 -8.472 -12.495 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.248 -10.045 -11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.713 -9.932 -13.513 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.044 -7.983 -13.052 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.173 -9.426 -14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.320 -9.186 -12.746 1.00 0.00 H new ATOM 382 N PRO A 26 -4.882 -12.967 -11.963 1.00 0.00 N ATOM 383 CA PRO A 26 -3.883 -13.799 -11.278 1.00 0.00 C ATOM 384 C PRO A 26 -2.684 -12.997 -10.773 1.00 0.00 C ATOM 385 O PRO A 26 -1.831 -13.523 -10.060 1.00 0.00 O ATOM 386 CB PRO A 26 -3.450 -14.793 -12.358 1.00 0.00 C ATOM 387 CG PRO A 26 -3.722 -14.097 -13.645 1.00 0.00 C ATOM 388 CD PRO A 26 -4.936 -13.244 -13.409 1.00 0.00 C ATOM 0 HA PRO A 26 -4.295 -14.268 -10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.395 -15.048 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.011 -15.725 -12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.870 -13.487 -13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.900 -14.814 -14.446 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.902 -12.326 -13.996 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.853 -13.765 -13.685 1.00 0.00 H new ATOM 396 N GLY A 27 -2.629 -11.724 -11.141 1.00 0.00 N ATOM 397 CA GLY A 27 -1.557 -10.862 -10.679 1.00 0.00 C ATOM 398 C GLY A 27 -1.805 -10.353 -9.273 1.00 0.00 C ATOM 399 O GLY A 27 -0.918 -9.772 -8.646 1.00 0.00 O ATOM 0 H GLY A 27 -3.309 -11.271 -11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.615 -11.409 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.454 -10.016 -11.358 1.00 0.00 H new ATOM 403 N VAL A 28 -3.018 -10.564 -8.780 1.00 0.00 N ATOM 404 CA VAL A 28 -3.376 -10.173 -7.432 1.00 0.00 C ATOM 405 C VAL A 28 -3.135 -11.333 -6.475 1.00 0.00 C ATOM 406 O VAL A 28 -3.739 -12.397 -6.609 1.00 0.00 O ATOM 407 CB VAL A 28 -4.853 -9.732 -7.354 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.225 -9.326 -5.934 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.122 -8.592 -8.325 1.00 0.00 C ATOM 0 H VAL A 28 -3.773 -11.008 -9.302 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.751 -9.327 -7.147 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.476 -10.581 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.271 -9.019 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.076 -10.172 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.595 -8.496 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.168 -8.294 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.486 -7.743 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.905 -8.921 -9.341 1.00 0.00 H new ATOM 419 N GLN A 29 -2.239 -11.128 -5.523 1.00 0.00 N ATOM 420 CA GLN A 29 -1.879 -12.166 -4.570 1.00 0.00 C ATOM 421 C GLN A 29 -2.936 -12.284 -3.477 1.00 0.00 C ATOM 422 O GLN A 29 -3.272 -13.383 -3.040 1.00 0.00 O ATOM 423 CB GLN A 29 -0.518 -11.862 -3.948 1.00 0.00 C ATOM 424 CG GLN A 29 0.406 -13.067 -3.887 1.00 0.00 C ATOM 425 CD GLN A 29 1.408 -13.097 -5.024 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.314 -13.927 -5.931 1.00 0.00 O ATOM 427 NE2 GLN A 29 2.374 -12.195 -4.983 1.00 0.00 N ATOM 0 H GLN A 29 -1.745 -10.246 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.823 -13.115 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.034 -11.072 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.667 -11.477 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.941 -13.061 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.191 -13.979 -3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.415 -11.526 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.078 -12.168 -5.720 1.00 0.00 H new ATOM 436 N SER A 30 -3.445 -11.144 -3.031 1.00 0.00 N ATOM 437 CA SER A 30 -4.493 -11.111 -2.017 1.00 0.00 C ATOM 438 C SER A 30 -5.309 -9.830 -2.150 1.00 0.00 C ATOM 439 O SER A 30 -4.746 -8.740 -2.273 1.00 0.00 O ATOM 440 CB SER A 30 -3.892 -11.198 -0.607 1.00 0.00 C ATOM 441 OG SER A 30 -2.521 -11.573 -0.642 1.00 0.00 O ATOM 0 H SER A 30 -3.148 -10.224 -3.357 1.00 0.00 H new ATOM 0 HA SER A 30 -5.143 -11.972 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.993 -10.234 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.453 -11.923 -0.017 1.00 0.00 H new ATOM 0 HG SER A 30 -2.170 -11.617 0.272 1.00 0.00 H new ATOM 447 N ALA A 31 -6.628 -9.962 -2.139 1.00 0.00 N ATOM 448 CA ALA A 31 -7.508 -8.811 -2.273 1.00 0.00 C ATOM 449 C ALA A 31 -8.508 -8.761 -1.124 1.00 0.00 C ATOM 450 O ALA A 31 -9.457 -9.543 -1.075 1.00 0.00 O ATOM 451 CB ALA A 31 -8.235 -8.854 -3.609 1.00 0.00 C ATOM 0 H ALA A 31 -7.112 -10.854 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.900 -7.907 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.890 -7.987 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.507 -8.841 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.830 -9.765 -3.670 1.00 0.00 H new ATOM 457 N LEU A 32 -8.281 -7.852 -0.193 1.00 0.00 N ATOM 458 CA LEU A 32 -9.172 -7.684 0.944 1.00 0.00 C ATOM 459 C LEU A 32 -9.840 -6.319 0.881 1.00 0.00 C ATOM 460 O LEU A 32 -9.203 -5.296 1.113 1.00 0.00 O ATOM 461 CB LEU A 32 -8.398 -7.832 2.256 1.00 0.00 C ATOM 462 CG LEU A 32 -7.286 -8.884 2.242 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.012 -8.320 2.853 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.729 -10.134 2.984 1.00 0.00 C ATOM 0 H LEU A 32 -7.484 -7.216 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.939 -8.458 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.960 -6.867 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.103 -8.082 3.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.078 -9.155 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.232 -9.081 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.686 -7.453 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.204 -8.022 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.927 -10.872 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.963 -9.880 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.615 -10.548 2.503 1.00 0.00 H new ATOM 476 N VAL A 33 -11.122 -6.297 0.558 1.00 0.00 N ATOM 477 CA VAL A 33 -11.829 -5.038 0.396 1.00 0.00 C ATOM 478 C VAL A 33 -12.398 -4.559 1.729 1.00 0.00 C ATOM 479 O VAL A 33 -12.719 -5.361 2.610 1.00 0.00 O ATOM 480 CB VAL A 33 -12.946 -5.140 -0.671 1.00 0.00 C ATOM 481 CG1 VAL A 33 -14.225 -5.740 -0.099 1.00 0.00 C ATOM 482 CG2 VAL A 33 -13.209 -3.777 -1.289 1.00 0.00 C ATOM 0 H VAL A 33 -11.691 -7.129 0.404 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.106 -4.302 0.044 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.601 -5.816 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.983 -5.794 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.020 -6.742 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.588 -5.114 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.997 -3.863 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.521 -3.079 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.298 -3.410 -1.761 1.00 0.00 H new ATOM 492 N SER A 34 -12.490 -3.248 1.884 1.00 0.00 N ATOM 493 CA SER A 34 -12.994 -2.657 3.108 1.00 0.00 C ATOM 494 C SER A 34 -14.249 -1.828 2.836 1.00 0.00 C ATOM 495 O SER A 34 -14.170 -0.714 2.309 1.00 0.00 O ATOM 496 CB SER A 34 -11.907 -1.791 3.748 1.00 0.00 C ATOM 497 OG SER A 34 -10.625 -2.136 3.247 1.00 0.00 O ATOM 0 H SER A 34 -12.220 -2.571 1.171 1.00 0.00 H new ATOM 0 HA SER A 34 -13.265 -3.457 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.109 -0.739 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.925 -1.918 4.830 1.00 0.00 H new ATOM 0 HG SER A 34 -9.946 -1.569 3.668 1.00 0.00 H new ATOM 503 N TYR A 35 -15.399 -2.395 3.190 1.00 0.00 N ATOM 504 CA TYR A 35 -16.692 -1.721 3.056 1.00 0.00 C ATOM 505 C TYR A 35 -16.706 -0.356 3.763 1.00 0.00 C ATOM 506 O TYR A 35 -17.048 0.646 3.138 1.00 0.00 O ATOM 507 CB TYR A 35 -17.811 -2.638 3.583 1.00 0.00 C ATOM 508 CG TYR A 35 -18.947 -1.939 4.310 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.743 -1.017 3.644 1.00 0.00 C ATOM 510 CD2 TYR A 35 -19.216 -2.189 5.652 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.775 -0.369 4.289 1.00 0.00 C ATOM 512 CE2 TYR A 35 -20.250 -1.543 6.304 1.00 0.00 C ATOM 513 CZ TYR A 35 -21.026 -0.683 5.662 1.00 0.00 C ATOM 514 OH TYR A 35 -22.056 0.011 6.257 1.00 0.00 O ATOM 0 H TYR A 35 -15.463 -3.336 3.579 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.866 -1.522 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.228 -3.192 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.368 -3.370 4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.551 -0.804 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.608 -2.899 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.380 0.359 3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.427 -1.742 7.351 1.00 0.00 H new ATOM 0 HH TYR A 35 -22.147 -0.275 7.190 1.00 0.00 H new ATOM 524 N PRO A 36 -16.325 -0.273 5.062 1.00 0.00 N ATOM 525 CA PRO A 36 -16.413 0.986 5.818 1.00 0.00 C ATOM 526 C PRO A 36 -15.411 2.039 5.347 1.00 0.00 C ATOM 527 O PRO A 36 -15.516 3.211 5.707 1.00 0.00 O ATOM 528 CB PRO A 36 -16.103 0.564 7.255 1.00 0.00 C ATOM 529 CG PRO A 36 -15.264 -0.656 7.111 1.00 0.00 C ATOM 530 CD PRO A 36 -15.788 -1.370 5.899 1.00 0.00 C ATOM 0 HA PRO A 36 -17.388 1.456 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.573 1.349 7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.016 0.355 7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.213 -0.396 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.335 -1.286 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.000 -1.920 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.562 -2.092 6.161 1.00 0.00 H new ATOM 538 N LYS A 37 -14.446 1.619 4.546 1.00 0.00 N ATOM 539 CA LYS A 37 -13.424 2.527 4.052 1.00 0.00 C ATOM 540 C LYS A 37 -13.660 2.863 2.585 1.00 0.00 C ATOM 541 O LYS A 37 -13.105 3.829 2.063 1.00 0.00 O ATOM 542 CB LYS A 37 -12.039 1.907 4.234 1.00 0.00 C ATOM 543 CG LYS A 37 -10.980 2.899 4.689 1.00 0.00 C ATOM 544 CD LYS A 37 -11.089 3.186 6.176 1.00 0.00 C ATOM 545 CE LYS A 37 -9.864 3.922 6.691 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.996 5.397 6.549 1.00 0.00 N ATOM 0 H LYS A 37 -14.349 0.656 4.224 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.479 3.451 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.105 1.100 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.724 1.460 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.989 2.503 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.086 3.828 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.981 3.782 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.208 2.249 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.706 3.672 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.983 3.583 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.138 5.859 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.121 5.639 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.822 5.725 7.090 1.00 0.00 H new ATOM 560 N GLY A 38 -14.486 2.058 1.923 1.00 0.00 N ATOM 561 CA GLY A 38 -14.741 2.251 0.508 1.00 0.00 C ATOM 562 C GLY A 38 -13.495 2.029 -0.325 1.00 0.00 C ATOM 563 O GLY A 38 -13.359 2.573 -1.421 1.00 0.00 O ATOM 0 H GLY A 38 -14.984 1.274 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.522 1.564 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.115 3.261 0.341 1.00 0.00 H new ATOM 567 N THR A 39 -12.580 1.228 0.199 1.00 0.00 N ATOM 568 CA THR A 39 -11.312 0.982 -0.465 1.00 0.00 C ATOM 569 C THR A 39 -11.009 -0.508 -0.514 1.00 0.00 C ATOM 570 O THR A 39 -11.585 -1.294 0.238 1.00 0.00 O ATOM 571 CB THR A 39 -10.159 1.709 0.254 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.674 2.485 1.343 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.402 2.622 -0.697 1.00 0.00 C ATOM 0 H THR A 39 -12.694 0.736 1.085 1.00 0.00 H new ATOM 0 HA THR A 39 -11.397 1.368 -1.481 1.00 0.00 H new ATOM 0 HB THR A 39 -9.470 0.952 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.936 2.943 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.595 3.120 -0.159 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.984 2.032 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.083 3.370 -1.103 1.00 0.00 H new ATOM 581 N ALA A 40 -10.119 -0.893 -1.410 1.00 0.00 N ATOM 582 CA ALA A 40 -9.694 -2.275 -1.524 1.00 0.00 C ATOM 583 C ALA A 40 -8.218 -2.406 -1.183 1.00 0.00 C ATOM 584 O ALA A 40 -7.374 -1.713 -1.755 1.00 0.00 O ATOM 585 CB ALA A 40 -9.963 -2.799 -2.927 1.00 0.00 C ATOM 0 H ALA A 40 -9.673 -0.261 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.267 -2.873 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.638 -3.837 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.030 -2.737 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.413 -2.198 -3.651 1.00 0.00 H new ATOM 591 N GLN A 41 -7.919 -3.279 -0.234 1.00 0.00 N ATOM 592 CA GLN A 41 -6.549 -3.562 0.160 1.00 0.00 C ATOM 593 C GLN A 41 -6.032 -4.751 -0.641 1.00 0.00 C ATOM 594 O GLN A 41 -6.340 -5.904 -0.333 1.00 0.00 O ATOM 595 CB GLN A 41 -6.496 -3.846 1.668 1.00 0.00 C ATOM 596 CG GLN A 41 -5.152 -4.351 2.163 1.00 0.00 C ATOM 597 CD GLN A 41 -4.556 -3.454 3.225 1.00 0.00 C ATOM 598 OE1 GLN A 41 -3.942 -2.437 2.915 1.00 0.00 O ATOM 599 NE2 GLN A 41 -4.733 -3.823 4.483 1.00 0.00 N ATOM 0 H GLN A 41 -8.619 -3.811 0.284 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.913 -2.701 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.748 -2.933 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.261 -4.583 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.270 -5.357 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.462 -4.423 1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.250 -4.676 4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.353 -3.254 5.240 1.00 0.00 H new ATOM 608 N LEU A 42 -5.265 -4.474 -1.681 1.00 0.00 N ATOM 609 CA LEU A 42 -4.823 -5.523 -2.580 1.00 0.00 C ATOM 610 C LEU A 42 -3.307 -5.588 -2.665 1.00 0.00 C ATOM 611 O LEU A 42 -2.633 -4.575 -2.851 1.00 0.00 O ATOM 612 CB LEU A 42 -5.415 -5.314 -3.975 1.00 0.00 C ATOM 613 CG LEU A 42 -5.309 -3.890 -4.524 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.583 -3.885 -5.860 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.688 -3.272 -4.668 1.00 0.00 C ATOM 0 H LEU A 42 -4.938 -3.538 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.178 -6.471 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.916 -5.991 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.467 -5.599 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.734 -3.292 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.517 -2.864 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.579 -4.289 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.131 -4.499 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.594 -2.259 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.286 -3.872 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.176 -3.240 -3.694 1.00 0.00 H new ATOM 627 N ALA A 43 -2.785 -6.789 -2.510 1.00 0.00 N ATOM 628 CA ALA A 43 -1.367 -7.040 -2.689 1.00 0.00 C ATOM 629 C ALA A 43 -1.149 -7.701 -4.040 1.00 0.00 C ATOM 630 O ALA A 43 -1.597 -8.827 -4.264 1.00 0.00 O ATOM 631 CB ALA A 43 -0.832 -7.917 -1.568 1.00 0.00 C ATOM 0 H ALA A 43 -3.328 -7.615 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.824 -6.095 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.233 -8.093 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.983 -7.417 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.361 -8.870 -1.567 1.00 0.00 H new ATOM 637 N ILE A 44 -0.491 -6.996 -4.942 1.00 0.00 N ATOM 638 CA ILE A 44 -0.295 -7.492 -6.297 1.00 0.00 C ATOM 639 C ILE A 44 1.176 -7.760 -6.576 1.00 0.00 C ATOM 640 O ILE A 44 2.048 -7.403 -5.783 1.00 0.00 O ATOM 641 CB ILE A 44 -0.833 -6.498 -7.352 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.336 -5.079 -7.066 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.351 -6.535 -7.386 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.219 -4.376 -8.285 1.00 0.00 C ATOM 0 H ILE A 44 -0.083 -6.079 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.855 -8.424 -6.372 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.456 -6.798 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.158 -4.490 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.436 -5.121 -6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.715 -5.830 -8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.685 -7.540 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.744 -6.261 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.552 -3.376 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.062 -4.943 -8.680 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.557 -4.302 -9.047 1.00 0.00 H new ATOM 656 N VAL A 45 1.441 -8.402 -7.701 1.00 0.00 N ATOM 657 CA VAL A 45 2.803 -8.651 -8.140 1.00 0.00 C ATOM 658 C VAL A 45 3.322 -7.434 -8.900 1.00 0.00 C ATOM 659 O VAL A 45 2.583 -6.839 -9.686 1.00 0.00 O ATOM 660 CB VAL A 45 2.873 -9.902 -9.047 1.00 0.00 C ATOM 661 CG1 VAL A 45 4.313 -10.256 -9.387 1.00 0.00 C ATOM 662 CG2 VAL A 45 2.175 -11.081 -8.382 1.00 0.00 C ATOM 0 H VAL A 45 0.725 -8.763 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 45 3.423 -8.831 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 45 2.357 -9.671 -9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.330 -11.139 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.779 -9.421 -9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.864 -10.462 -8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.233 -11.953 -9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.662 -11.304 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.129 -10.831 -8.203 1.00 0.00 H new ATOM 672 N PRO A 46 4.580 -7.021 -8.644 1.00 0.00 N ATOM 673 CA PRO A 46 5.222 -5.909 -9.361 1.00 0.00 C ATOM 674 C PRO A 46 5.406 -6.205 -10.851 1.00 0.00 C ATOM 675 O PRO A 46 6.525 -6.373 -11.340 1.00 0.00 O ATOM 676 CB PRO A 46 6.583 -5.764 -8.672 1.00 0.00 C ATOM 677 CG PRO A 46 6.436 -6.466 -7.365 1.00 0.00 C ATOM 678 CD PRO A 46 5.463 -7.582 -7.609 1.00 0.00 C ATOM 0 HA PRO A 46 4.616 -5.004 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.377 -6.209 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.842 -4.715 -8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.395 -6.852 -7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.068 -5.787 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.963 -8.488 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.912 -7.844 -6.705 1.00 0.00 H new ATOM 686 N GLY A 47 4.292 -6.265 -11.553 1.00 0.00 N ATOM 687 CA GLY A 47 4.292 -6.557 -12.969 1.00 0.00 C ATOM 688 C GLY A 47 2.916 -6.345 -13.554 1.00 0.00 C ATOM 689 O GLY A 47 2.774 -5.938 -14.706 1.00 0.00 O ATOM 0 H GLY A 47 3.364 -6.113 -11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.012 -5.917 -13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.609 -7.587 -13.134 1.00 0.00 H new ATOM 693 N THR A 48 1.902 -6.642 -12.754 1.00 0.00 N ATOM 694 CA THR A 48 0.528 -6.345 -13.111 1.00 0.00 C ATOM 695 C THR A 48 0.257 -4.862 -12.941 1.00 0.00 C ATOM 696 O THR A 48 0.554 -4.286 -11.894 1.00 0.00 O ATOM 697 CB THR A 48 -0.453 -7.148 -12.243 1.00 0.00 C ATOM 698 OG1 THR A 48 0.215 -8.292 -11.691 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.654 -7.599 -13.059 1.00 0.00 C ATOM 0 H THR A 48 2.010 -7.093 -11.845 1.00 0.00 H new ATOM 0 HA THR A 48 0.381 -6.627 -14.153 1.00 0.00 H new ATOM 0 HB THR A 48 -0.806 -6.506 -11.436 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.072 -8.422 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.334 -8.165 -12.423 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.172 -6.726 -13.457 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.318 -8.229 -13.883 1.00 0.00 H new ATOM 707 N SER A 49 -0.289 -4.249 -13.973 1.00 0.00 N ATOM 708 CA SER A 49 -0.558 -2.829 -13.958 1.00 0.00 C ATOM 709 C SER A 49 -1.792 -2.517 -13.111 1.00 0.00 C ATOM 710 O SER A 49 -2.913 -2.858 -13.486 1.00 0.00 O ATOM 711 CB SER A 49 -0.756 -2.344 -15.392 1.00 0.00 C ATOM 712 OG SER A 49 -0.916 -3.451 -16.270 1.00 0.00 O ATOM 0 H SER A 49 -0.556 -4.719 -14.838 1.00 0.00 H new ATOM 0 HA SER A 49 0.289 -2.309 -13.511 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.632 -1.698 -15.447 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.101 -1.746 -15.702 1.00 0.00 H new ATOM 0 HG SER A 49 -1.044 -3.126 -17.186 1.00 0.00 H new ATOM 718 N PRO A 50 -1.611 -1.869 -11.952 1.00 0.00 N ATOM 719 CA PRO A 50 -2.725 -1.542 -11.067 1.00 0.00 C ATOM 720 C PRO A 50 -3.591 -0.416 -11.612 1.00 0.00 C ATOM 721 O PRO A 50 -4.755 -0.274 -11.233 1.00 0.00 O ATOM 722 CB PRO A 50 -2.046 -1.133 -9.762 1.00 0.00 C ATOM 723 CG PRO A 50 -0.692 -0.658 -10.165 1.00 0.00 C ATOM 724 CD PRO A 50 -0.315 -1.426 -11.404 1.00 0.00 C ATOM 0 HA PRO A 50 -3.409 -2.382 -10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.606 -0.347 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.980 -1.973 -9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.701 0.414 -10.362 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.031 -0.830 -9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.226 -0.800 -12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.330 -2.272 -11.169 1.00 0.00 H new ATOM 732 N ASP A 51 -3.036 0.368 -12.521 1.00 0.00 N ATOM 733 CA ASP A 51 -3.800 1.407 -13.188 1.00 0.00 C ATOM 734 C ASP A 51 -4.732 0.747 -14.188 1.00 0.00 C ATOM 735 O ASP A 51 -5.781 1.282 -14.545 1.00 0.00 O ATOM 736 CB ASP A 51 -2.859 2.390 -13.890 1.00 0.00 C ATOM 737 CG ASP A 51 -3.573 3.584 -14.496 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.544 4.080 -13.895 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.141 4.042 -15.576 1.00 0.00 O ATOM 0 H ASP A 51 -2.061 0.304 -12.813 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.383 1.970 -12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.118 2.745 -13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.317 1.864 -14.676 1.00 0.00 H new ATOM 744 N ALA A 52 -4.351 -0.459 -14.600 1.00 0.00 N ATOM 745 CA ALA A 52 -5.145 -1.226 -15.540 1.00 0.00 C ATOM 746 C ALA A 52 -6.331 -1.846 -14.828 1.00 0.00 C ATOM 747 O ALA A 52 -7.422 -1.929 -15.376 1.00 0.00 O ATOM 748 CB ALA A 52 -4.304 -2.290 -16.230 1.00 0.00 C ATOM 0 H ALA A 52 -3.495 -0.922 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.515 -0.552 -16.313 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.926 -2.849 -16.929 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.488 -1.813 -16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.895 -2.971 -15.484 1.00 0.00 H new ATOM 754 N LEU A 53 -6.107 -2.267 -13.591 1.00 0.00 N ATOM 755 CA LEU A 53 -7.174 -2.814 -12.765 1.00 0.00 C ATOM 756 C LEU A 53 -8.173 -1.715 -12.443 1.00 0.00 C ATOM 757 O LEU A 53 -9.385 -1.922 -12.486 1.00 0.00 O ATOM 758 CB LEU A 53 -6.610 -3.402 -11.471 1.00 0.00 C ATOM 759 CG LEU A 53 -5.384 -4.299 -11.641 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.682 -4.503 -10.309 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.779 -5.639 -12.244 1.00 0.00 C ATOM 0 H LEU A 53 -5.194 -2.240 -13.137 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.671 -3.613 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.350 -2.582 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.395 -3.977 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.692 -3.805 -12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.812 -5.144 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.362 -3.538 -9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.368 -4.973 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.892 -6.263 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.492 -6.137 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.236 -5.478 -13.220 1.00 0.00 H new ATOM 773 N THR A 54 -7.642 -0.541 -12.137 1.00 0.00 N ATOM 774 CA THR A 54 -8.453 0.643 -11.907 1.00 0.00 C ATOM 775 C THR A 54 -9.324 0.940 -13.126 1.00 0.00 C ATOM 776 O THR A 54 -10.541 1.123 -13.012 1.00 0.00 O ATOM 777 CB THR A 54 -7.554 1.858 -11.597 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.675 1.547 -10.507 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.384 3.079 -11.249 1.00 0.00 C ATOM 0 H THR A 54 -6.639 -0.383 -12.041 1.00 0.00 H new ATOM 0 HA THR A 54 -9.100 0.453 -11.050 1.00 0.00 H new ATOM 0 HB THR A 54 -6.969 2.083 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.941 0.983 -10.829 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.723 3.919 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.031 3.331 -12.089 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.995 2.866 -10.372 1.00 0.00 H new ATOM 787 N ALA A 55 -8.699 0.960 -14.295 1.00 0.00 N ATOM 788 CA ALA A 55 -9.418 1.208 -15.535 1.00 0.00 C ATOM 789 C ALA A 55 -10.394 0.075 -15.837 1.00 0.00 C ATOM 790 O ALA A 55 -11.464 0.305 -16.396 1.00 0.00 O ATOM 791 CB ALA A 55 -8.445 1.397 -16.688 1.00 0.00 C ATOM 0 H ALA A 55 -7.697 0.808 -14.410 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.993 2.126 -15.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.001 1.581 -17.607 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.795 2.247 -16.480 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.840 0.498 -16.804 1.00 0.00 H new ATOM 797 N ALA A 56 -10.019 -1.142 -15.461 1.00 0.00 N ATOM 798 CA ALA A 56 -10.877 -2.305 -15.653 1.00 0.00 C ATOM 799 C ALA A 56 -12.149 -2.186 -14.821 1.00 0.00 C ATOM 800 O ALA A 56 -13.244 -2.474 -15.306 1.00 0.00 O ATOM 801 CB ALA A 56 -10.134 -3.585 -15.304 1.00 0.00 C ATOM 0 H ALA A 56 -9.123 -1.349 -15.020 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.159 -2.344 -16.705 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.793 -4.440 -15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.258 -3.684 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.818 -3.549 -14.262 1.00 0.00 H new ATOM 807 N VAL A 57 -12.005 -1.756 -13.571 1.00 0.00 N ATOM 808 CA VAL A 57 -13.154 -1.574 -12.697 1.00 0.00 C ATOM 809 C VAL A 57 -13.995 -0.379 -13.152 1.00 0.00 C ATOM 810 O VAL A 57 -15.226 -0.447 -13.170 1.00 0.00 O ATOM 811 CB VAL A 57 -12.734 -1.389 -11.226 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.949 -1.192 -10.331 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.915 -2.581 -10.755 1.00 0.00 C ATOM 0 H VAL A 57 -11.107 -1.529 -13.144 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.754 -2.482 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.118 -0.493 -11.160 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.624 -1.064 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.497 -0.306 -10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.598 -2.065 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.626 -2.435 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.511 -3.489 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.020 -2.674 -11.371 1.00 0.00 H new ATOM 823 N ALA A 58 -13.331 0.708 -13.539 1.00 0.00 N ATOM 824 CA ALA A 58 -14.028 1.872 -14.079 1.00 0.00 C ATOM 825 C ALA A 58 -14.712 1.537 -15.402 1.00 0.00 C ATOM 826 O ALA A 58 -15.668 2.196 -15.804 1.00 0.00 O ATOM 827 CB ALA A 58 -13.061 3.035 -14.253 1.00 0.00 C ATOM 0 H ALA A 58 -12.317 0.807 -13.489 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.801 2.166 -13.368 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.595 3.895 -14.656 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.629 3.296 -13.287 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.266 2.747 -14.940 1.00 0.00 H new ATOM 833 N GLY A 59 -14.221 0.504 -16.065 1.00 0.00 N ATOM 834 CA GLY A 59 -14.817 0.060 -17.307 1.00 0.00 C ATOM 835 C GLY A 59 -15.856 -1.022 -17.089 1.00 0.00 C ATOM 836 O GLY A 59 -16.410 -1.565 -18.045 1.00 0.00 O ATOM 0 H GLY A 59 -13.413 -0.040 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.279 0.909 -17.810 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.037 -0.316 -17.968 1.00 0.00 H new ATOM 840 N LEU A 60 -16.125 -1.331 -15.826 1.00 0.00 N ATOM 841 CA LEU A 60 -17.103 -2.349 -15.477 1.00 0.00 C ATOM 842 C LEU A 60 -18.454 -1.721 -15.169 1.00 0.00 C ATOM 843 O LEU A 60 -19.376 -2.394 -14.708 1.00 0.00 O ATOM 844 CB LEU A 60 -16.624 -3.156 -14.274 1.00 0.00 C ATOM 845 CG LEU A 60 -16.168 -4.579 -14.586 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.048 -4.992 -13.648 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.335 -5.548 -14.481 1.00 0.00 C ATOM 0 H LEU A 60 -15.676 -0.888 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.215 -3.015 -16.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.798 -2.622 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.431 -3.202 -13.543 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.791 -4.605 -15.608 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.733 -6.009 -13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.203 -4.314 -13.769 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.402 -4.950 -12.618 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.991 -6.557 -14.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.741 -5.521 -13.470 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.111 -5.262 -15.191 1.00 0.00 H new ATOM 859 N GLY A 61 -18.560 -0.434 -15.437 1.00 0.00 N ATOM 860 CA GLY A 61 -19.787 0.286 -15.157 1.00 0.00 C ATOM 861 C GLY A 61 -19.719 1.030 -13.840 1.00 0.00 C ATOM 862 O GLY A 61 -20.624 1.785 -13.492 1.00 0.00 O ATOM 0 H GLY A 61 -17.816 0.132 -15.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.985 0.993 -15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.622 -0.415 -15.135 1.00 0.00 H new ATOM 866 N TYR A 62 -18.642 0.807 -13.104 1.00 0.00 N ATOM 867 CA TYR A 62 -18.419 1.480 -11.840 1.00 0.00 C ATOM 868 C TYR A 62 -17.333 2.528 -12.006 1.00 0.00 C ATOM 869 O TYR A 62 -16.874 2.778 -13.119 1.00 0.00 O ATOM 870 CB TYR A 62 -18.005 0.475 -10.763 1.00 0.00 C ATOM 871 CG TYR A 62 -18.839 -0.786 -10.734 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.205 -0.727 -10.494 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.263 -2.031 -10.960 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.975 -1.872 -10.475 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.028 -3.181 -10.946 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.361 -3.109 -10.658 1.00 0.00 C ATOM 877 OH TYR A 62 -21.151 -4.238 -10.690 1.00 0.00 O ATOM 0 H TYR A 62 -17.902 0.156 -13.367 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.347 1.961 -11.530 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.961 0.203 -10.919 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.066 0.959 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.673 0.231 -10.319 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.202 -2.100 -11.149 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.042 -1.810 -10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.572 -4.136 -11.163 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.582 -5.035 -10.729 1.00 0.00 H new ATOM 887 N LYS A 63 -16.922 3.142 -10.911 1.00 0.00 N ATOM 888 CA LYS A 63 -15.821 4.076 -10.953 1.00 0.00 C ATOM 889 C LYS A 63 -14.742 3.624 -9.986 1.00 0.00 C ATOM 890 O LYS A 63 -15.019 3.356 -8.818 1.00 0.00 O ATOM 891 CB LYS A 63 -16.295 5.491 -10.614 1.00 0.00 C ATOM 892 CG LYS A 63 -15.700 6.564 -11.508 1.00 0.00 C ATOM 893 CD LYS A 63 -14.314 6.971 -11.038 1.00 0.00 C ATOM 894 CE LYS A 63 -13.690 7.999 -11.965 1.00 0.00 C ATOM 895 NZ LYS A 63 -13.476 9.297 -11.280 1.00 0.00 N ATOM 0 H LYS A 63 -17.334 3.009 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.410 4.098 -11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.382 5.529 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.040 5.712 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.645 6.197 -12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.354 7.436 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.376 7.380 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.673 6.091 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.737 7.623 -12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.335 8.147 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.049 9.974 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.389 9.668 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.841 9.160 -10.468 1.00 0.00 H new ATOM 909 N ALA A 64 -13.525 3.491 -10.476 1.00 0.00 N ATOM 910 CA ALA A 64 -12.420 3.110 -9.625 1.00 0.00 C ATOM 911 C ALA A 64 -11.326 4.162 -9.638 1.00 0.00 C ATOM 912 O ALA A 64 -11.110 4.843 -10.640 1.00 0.00 O ATOM 913 CB ALA A 64 -11.862 1.764 -10.049 1.00 0.00 C ATOM 0 H ALA A 64 -13.279 3.641 -11.455 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.797 3.029 -8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.031 1.493 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.643 1.007 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.511 1.824 -11.079 1.00 0.00 H new ATOM 919 N THR A 65 -10.675 4.310 -8.502 1.00 0.00 N ATOM 920 CA THR A 65 -9.480 5.124 -8.388 1.00 0.00 C ATOM 921 C THR A 65 -8.410 4.312 -7.665 1.00 0.00 C ATOM 922 O THR A 65 -8.572 3.105 -7.490 1.00 0.00 O ATOM 923 CB THR A 65 -9.753 6.435 -7.628 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.167 6.650 -7.513 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.111 7.617 -8.340 1.00 0.00 C ATOM 0 H THR A 65 -10.960 3.868 -7.628 1.00 0.00 H new ATOM 0 HA THR A 65 -9.143 5.396 -9.388 1.00 0.00 H new ATOM 0 HB THR A 65 -9.317 6.350 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.333 7.485 -7.027 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.317 8.532 -7.785 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.033 7.464 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.522 7.703 -9.346 1.00 0.00 H new ATOM 933 N LEU A 66 -7.357 4.959 -7.193 1.00 0.00 N ATOM 934 CA LEU A 66 -6.283 4.241 -6.531 1.00 0.00 C ATOM 935 C LEU A 66 -5.585 5.139 -5.524 1.00 0.00 C ATOM 936 O LEU A 66 -5.320 6.311 -5.791 1.00 0.00 O ATOM 937 CB LEU A 66 -5.287 3.693 -7.569 1.00 0.00 C ATOM 938 CG LEU A 66 -3.851 4.213 -7.462 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.907 3.091 -7.061 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.412 4.833 -8.778 1.00 0.00 C ATOM 0 H LEU A 66 -7.224 5.968 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.708 3.396 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.266 2.606 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.664 3.928 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.819 4.982 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.891 3.479 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.210 2.688 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.942 2.301 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.389 5.198 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.459 4.083 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.072 5.664 -9.027 1.00 0.00 H new ATOM 952 N ALA A 67 -5.329 4.582 -4.355 1.00 0.00 N ATOM 953 CA ALA A 67 -4.655 5.294 -3.289 1.00 0.00 C ATOM 954 C ALA A 67 -3.390 4.553 -2.889 1.00 0.00 C ATOM 955 O ALA A 67 -3.437 3.576 -2.138 1.00 0.00 O ATOM 956 CB ALA A 67 -5.582 5.463 -2.093 1.00 0.00 C ATOM 0 H ALA A 67 -5.583 3.623 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.379 6.286 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.060 6.000 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.464 6.028 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.886 4.482 -1.727 1.00 0.00 H new