USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=15 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 9 MET CE :methyl 180:sc= -0.161 (180deg=-0.161) USER MOD Set 1.2: A 17 HIS : no HD1:sc= 0 X(o=-0.19,f=-0.25) USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= -0.0332 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.138 USER MOD Set 2.2: A 14 CYS SG : rot 59:sc= 0.738 USER MOD Set 3.1: A 3 HIS : no HD1:sc= 0 X(o=-0.057,f=-0.057) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.057 K(o=-0.057,f=-3.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 62:sc= 1.19 USER MOD Single : A 11 CYS SG : rot 27:sc= 0.0189 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -108:sc= 1.19 (180deg=-0.873) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.413 K(o=-0.41,f=-2.8!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0474 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= -1.31 USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 49 SER OG : rot 73:sc= 0.11 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -3.215 0.942 -2.585 1.00 0.00 N ATOM 35 CA HIS A 3 -4.517 1.302 -2.046 1.00 0.00 C ATOM 36 C HIS A 3 -5.378 1.860 -3.163 1.00 0.00 C ATOM 37 O HIS A 3 -5.010 2.830 -3.825 1.00 0.00 O ATOM 38 CB HIS A 3 -4.427 2.350 -0.941 1.00 0.00 C ATOM 39 CG HIS A 3 -3.792 1.886 0.333 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.515 1.585 1.467 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.491 1.717 0.667 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.689 1.253 2.438 1.00 0.00 C ATOM 43 NE2 HIS A 3 -2.452 1.323 1.982 1.00 0.00 N ATOM 0 HA HIS A 3 -4.950 0.398 -1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.864 3.204 -1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.433 2.705 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.640 1.865 0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.976 0.971 3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.608 1.119 2.517 1.00 0.00 H new ATOM 52 N LEU A 4 -6.519 1.256 -3.354 1.00 0.00 N ATOM 53 CA LEU A 4 -7.431 1.656 -4.412 1.00 0.00 C ATOM 54 C LEU A 4 -8.682 2.270 -3.813 1.00 0.00 C ATOM 55 O LEU A 4 -9.092 1.910 -2.711 1.00 0.00 O ATOM 56 CB LEU A 4 -7.805 0.456 -5.286 1.00 0.00 C ATOM 57 CG LEU A 4 -7.664 0.677 -6.793 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.200 0.664 -7.205 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.447 -0.377 -7.562 1.00 0.00 C ATOM 0 H LEU A 4 -6.850 0.475 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.932 2.396 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.181 -0.390 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.837 0.178 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.076 1.657 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.123 0.823 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.668 1.458 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.758 -0.299 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.335 -0.204 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.066 -1.367 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.501 -0.315 -7.293 1.00 0.00 H new ATOM 71 N LYS A 5 -9.275 3.199 -4.533 1.00 0.00 N ATOM 72 CA LYS A 5 -10.496 3.847 -4.079 1.00 0.00 C ATOM 73 C LYS A 5 -11.686 3.330 -4.874 1.00 0.00 C ATOM 74 O LYS A 5 -11.689 3.383 -6.107 1.00 0.00 O ATOM 75 CB LYS A 5 -10.400 5.370 -4.214 1.00 0.00 C ATOM 76 CG LYS A 5 -11.722 6.085 -3.967 1.00 0.00 C ATOM 77 CD LYS A 5 -11.521 7.508 -3.475 1.00 0.00 C ATOM 78 CE LYS A 5 -12.789 8.061 -2.840 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.085 9.446 -3.297 1.00 0.00 N ATOM 0 H LYS A 5 -8.934 3.526 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.633 3.608 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.657 5.743 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.044 5.617 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.303 6.100 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.303 5.527 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.708 7.532 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.223 8.144 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.630 7.411 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.684 8.052 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.956 9.784 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.295 10.072 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.211 9.451 -4.329 1.00 0.00 H new ATOM 93 N ILE A 6 -12.686 2.827 -4.168 1.00 0.00 N ATOM 94 CA ILE A 6 -13.885 2.307 -4.802 1.00 0.00 C ATOM 95 C ILE A 6 -14.953 3.391 -4.867 1.00 0.00 C ATOM 96 O ILE A 6 -15.226 4.066 -3.873 1.00 0.00 O ATOM 97 CB ILE A 6 -14.439 1.080 -4.043 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.330 0.044 -3.802 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.602 0.453 -4.805 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.605 -0.387 -5.062 1.00 0.00 C ATOM 0 H ILE A 6 -12.690 2.768 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.618 1.993 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.808 1.418 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.605 0.459 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.765 -0.835 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.976 -0.409 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.400 1.186 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.261 0.133 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.838 -1.119 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.317 -0.833 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.139 0.481 -5.528 1.00 0.00 H new ATOM 112 N THR A 7 -15.532 3.572 -6.045 1.00 0.00 N ATOM 113 CA THR A 7 -16.548 4.587 -6.249 1.00 0.00 C ATOM 114 C THR A 7 -17.597 4.092 -7.242 1.00 0.00 C ATOM 115 O THR A 7 -17.365 3.126 -7.973 1.00 0.00 O ATOM 116 CB THR A 7 -15.917 5.892 -6.766 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.519 5.685 -7.021 1.00 0.00 O ATOM 118 CG2 THR A 7 -16.093 7.015 -5.755 1.00 0.00 C ATOM 0 H THR A 7 -15.312 3.024 -6.877 1.00 0.00 H new ATOM 0 HA THR A 7 -17.028 4.786 -5.291 1.00 0.00 H new ATOM 0 HB THR A 7 -16.420 6.177 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.411 5.006 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.639 7.927 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 7 -17.156 7.184 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.611 6.739 -4.817 1.00 0.00 H new ATOM 126 N GLY A 8 -18.747 4.742 -7.257 1.00 0.00 N ATOM 127 CA GLY A 8 -19.824 4.324 -8.130 1.00 0.00 C ATOM 128 C GLY A 8 -20.798 3.424 -7.405 1.00 0.00 C ATOM 129 O GLY A 8 -22.005 3.663 -7.416 1.00 0.00 O ATOM 0 H GLY A 8 -18.956 5.555 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.349 5.201 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.413 3.800 -8.993 1.00 0.00 H new ATOM 133 N MET A 9 -20.269 2.379 -6.784 1.00 0.00 N ATOM 134 CA MET A 9 -21.078 1.506 -5.943 1.00 0.00 C ATOM 135 C MET A 9 -21.148 2.071 -4.537 1.00 0.00 C ATOM 136 O MET A 9 -20.345 2.926 -4.166 1.00 0.00 O ATOM 137 CB MET A 9 -20.520 0.084 -5.900 1.00 0.00 C ATOM 138 CG MET A 9 -20.498 -0.598 -7.256 1.00 0.00 C ATOM 139 SD MET A 9 -19.529 -2.120 -7.249 1.00 0.00 S ATOM 140 CE MET A 9 -20.767 -3.306 -7.769 1.00 0.00 C ATOM 0 H MET A 9 -19.286 2.115 -6.846 1.00 0.00 H new ATOM 0 HA MET A 9 -22.078 1.459 -6.375 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.507 0.112 -5.499 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.119 -0.512 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.520 -0.823 -7.562 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.087 0.087 -7.997 1.00 0.00 H new ATOM 0 HE1 MET A 9 -20.322 -4.300 -7.814 1.00 0.00 H new ATOM 0 HE2 MET A 9 -21.591 -3.309 -7.055 1.00 0.00 H new ATOM 0 HE3 MET A 9 -21.142 -3.032 -8.755 1.00 0.00 H new ATOM 150 N THR A 10 -22.096 1.592 -3.755 1.00 0.00 N ATOM 151 CA THR A 10 -22.271 2.081 -2.408 1.00 0.00 C ATOM 152 C THR A 10 -21.236 1.475 -1.462 1.00 0.00 C ATOM 153 O THR A 10 -20.236 2.111 -1.131 1.00 0.00 O ATOM 154 CB THR A 10 -23.679 1.754 -1.900 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.402 1.042 -2.917 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.432 3.020 -1.525 1.00 0.00 C ATOM 0 H THR A 10 -22.755 0.865 -4.032 1.00 0.00 H new ATOM 0 HA THR A 10 -22.134 3.162 -2.428 1.00 0.00 H new ATOM 0 HB THR A 10 -23.589 1.134 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.302 0.831 -2.592 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.428 2.759 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 10 -23.891 3.546 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.518 3.665 -2.400 1.00 0.00 H new ATOM 164 N CYS A 11 -21.471 0.226 -1.071 1.00 0.00 N ATOM 165 CA CYS A 11 -20.694 -0.429 -0.030 1.00 0.00 C ATOM 166 C CYS A 11 -21.303 -1.786 0.288 1.00 0.00 C ATOM 167 O CYS A 11 -22.526 -1.916 0.299 1.00 0.00 O ATOM 168 CB CYS A 11 -20.676 0.428 1.230 1.00 0.00 C ATOM 169 SG CYS A 11 -22.320 0.882 1.835 1.00 0.00 S ATOM 0 H CYS A 11 -22.206 -0.359 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.672 -0.562 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.147 -0.111 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.110 1.338 1.030 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.183 -0.014 1.459 1.00 0.00 H new ATOM 175 N ASP A 12 -20.448 -2.783 0.532 1.00 0.00 N ATOM 176 CA ASP A 12 -20.887 -4.141 0.886 1.00 0.00 C ATOM 177 C ASP A 12 -21.627 -4.813 -0.274 1.00 0.00 C ATOM 178 O ASP A 12 -22.514 -4.218 -0.888 1.00 0.00 O ATOM 179 CB ASP A 12 -21.763 -4.127 2.144 1.00 0.00 C ATOM 180 CG ASP A 12 -22.076 -5.520 2.650 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.125 -6.285 2.911 1.00 0.00 O ATOM 182 OD2 ASP A 12 -23.272 -5.859 2.782 1.00 0.00 O ATOM 0 H ASP A 12 -19.435 -2.675 0.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.992 -4.726 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.257 -3.564 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.695 -3.605 1.928 1.00 0.00 H new ATOM 187 N SER A 13 -21.228 -6.050 -0.585 1.00 0.00 N ATOM 188 CA SER A 13 -21.745 -6.799 -1.740 1.00 0.00 C ATOM 189 C SER A 13 -21.231 -6.183 -3.044 1.00 0.00 C ATOM 190 O SER A 13 -20.771 -6.889 -3.940 1.00 0.00 O ATOM 191 CB SER A 13 -23.278 -6.858 -1.729 1.00 0.00 C ATOM 192 OG SER A 13 -23.754 -7.271 -0.458 1.00 0.00 O ATOM 0 H SER A 13 -20.534 -6.564 -0.042 1.00 0.00 H new ATOM 0 HA SER A 13 -21.379 -7.823 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.687 -5.878 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.626 -7.550 -2.496 1.00 0.00 H new ATOM 0 HG SER A 13 -24.733 -7.301 -0.469 1.00 0.00 H new ATOM 198 N CYS A 14 -21.291 -4.861 -3.120 1.00 0.00 N ATOM 199 CA CYS A 14 -20.697 -4.114 -4.212 1.00 0.00 C ATOM 200 C CYS A 14 -19.200 -4.390 -4.257 1.00 0.00 C ATOM 201 O CYS A 14 -18.627 -4.661 -5.311 1.00 0.00 O ATOM 202 CB CYS A 14 -20.951 -2.617 -4.006 1.00 0.00 C ATOM 203 SG CYS A 14 -22.596 -2.221 -3.361 1.00 0.00 S ATOM 0 H CYS A 14 -21.755 -4.278 -2.423 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.146 -4.423 -5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.201 -2.224 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.813 -2.103 -4.957 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.771 -2.821 -2.221 1.00 0.00 H new ATOM 209 N ALA A 15 -18.588 -4.359 -3.079 1.00 0.00 N ATOM 210 CA ALA A 15 -17.157 -4.606 -2.938 1.00 0.00 C ATOM 211 C ALA A 15 -16.797 -6.041 -3.325 1.00 0.00 C ATOM 212 O ALA A 15 -15.657 -6.329 -3.687 1.00 0.00 O ATOM 213 CB ALA A 15 -16.720 -4.318 -1.510 1.00 0.00 C ATOM 0 H ALA A 15 -19.066 -4.163 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.629 -3.937 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.651 -4.505 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.930 -3.276 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.266 -4.967 -0.825 1.00 0.00 H new ATOM 219 N ALA A 16 -17.780 -6.935 -3.259 1.00 0.00 N ATOM 220 CA ALA A 16 -17.563 -8.336 -3.595 1.00 0.00 C ATOM 221 C ALA A 16 -17.300 -8.500 -5.088 1.00 0.00 C ATOM 222 O ALA A 16 -16.384 -9.213 -5.485 1.00 0.00 O ATOM 223 CB ALA A 16 -18.751 -9.184 -3.167 1.00 0.00 C ATOM 0 H ALA A 16 -18.734 -6.712 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.683 -8.681 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.567 -10.226 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.889 -9.099 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.649 -8.836 -3.677 1.00 0.00 H new ATOM 229 N HIS A 17 -18.090 -7.818 -5.915 1.00 0.00 N ATOM 230 CA HIS A 17 -17.912 -7.892 -7.365 1.00 0.00 C ATOM 231 C HIS A 17 -16.589 -7.259 -7.769 1.00 0.00 C ATOM 232 O HIS A 17 -15.909 -7.736 -8.684 1.00 0.00 O ATOM 233 CB HIS A 17 -19.066 -7.209 -8.102 1.00 0.00 C ATOM 234 CG HIS A 17 -19.371 -7.836 -9.429 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.875 -9.112 -9.561 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.223 -7.361 -10.687 1.00 0.00 C ATOM 237 CE1 HIS A 17 -20.016 -9.395 -10.841 1.00 0.00 C ATOM 238 NE2 HIS A 17 -19.628 -8.351 -11.548 1.00 0.00 N ATOM 0 H HIS A 17 -18.853 -7.213 -5.611 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.905 -8.945 -7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.959 -7.243 -7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.822 -6.157 -8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.855 -6.384 -10.963 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.387 -10.326 -11.243 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.629 -8.289 -12.566 1.00 0.00 H new ATOM 247 N VAL A 18 -16.223 -6.189 -7.074 1.00 0.00 N ATOM 248 CA VAL A 18 -14.938 -5.545 -7.290 1.00 0.00 C ATOM 249 C VAL A 18 -13.814 -6.510 -6.927 1.00 0.00 C ATOM 250 O VAL A 18 -12.855 -6.673 -7.678 1.00 0.00 O ATOM 251 CB VAL A 18 -14.801 -4.253 -6.456 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.456 -3.586 -6.705 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.938 -3.293 -6.765 1.00 0.00 C ATOM 0 H VAL A 18 -16.800 -5.750 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.872 -5.273 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.856 -4.524 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.384 -2.678 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.654 -4.269 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.366 -3.332 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.823 -2.389 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.917 -3.033 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.890 -3.767 -6.526 1.00 0.00 H new ATOM 263 N LYS A 19 -13.961 -7.164 -5.780 1.00 0.00 N ATOM 264 CA LYS A 19 -12.995 -8.160 -5.336 1.00 0.00 C ATOM 265 C LYS A 19 -12.902 -9.304 -6.339 1.00 0.00 C ATOM 266 O LYS A 19 -11.817 -9.813 -6.615 1.00 0.00 O ATOM 267 CB LYS A 19 -13.392 -8.699 -3.961 1.00 0.00 C ATOM 268 CG LYS A 19 -12.231 -9.286 -3.174 1.00 0.00 C ATOM 269 CD LYS A 19 -12.703 -9.924 -1.876 1.00 0.00 C ATOM 270 CE LYS A 19 -11.671 -10.898 -1.328 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.934 -12.292 -1.773 1.00 0.00 N ATOM 0 H LYS A 19 -14.742 -7.021 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.017 -7.684 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.841 -7.893 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.157 -9.465 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.718 -10.032 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.507 -8.502 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.900 -9.147 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.644 -10.447 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.676 -10.594 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.676 -10.857 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.284 -12.852 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.648 -12.286 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.054 -12.714 -2.132 1.00 0.00 H new ATOM 285 N GLU A 20 -14.046 -9.701 -6.882 1.00 0.00 N ATOM 286 CA GLU A 20 -14.093 -10.746 -7.895 1.00 0.00 C ATOM 287 C GLU A 20 -13.312 -10.336 -9.129 1.00 0.00 C ATOM 288 O GLU A 20 -12.512 -11.113 -9.655 1.00 0.00 O ATOM 289 CB GLU A 20 -15.536 -11.054 -8.295 1.00 0.00 C ATOM 290 CG GLU A 20 -16.311 -11.864 -7.272 1.00 0.00 C ATOM 291 CD GLU A 20 -17.798 -11.879 -7.560 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.186 -11.629 -8.721 1.00 0.00 O ATOM 293 OE2 GLU A 20 -18.591 -12.139 -6.631 1.00 0.00 O ATOM 0 H GLU A 20 -14.957 -9.313 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.642 -11.640 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.060 -10.114 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.530 -11.596 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.935 -12.887 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.139 -11.450 -6.278 1.00 0.00 H new ATOM 300 N ALA A 21 -13.543 -9.109 -9.579 1.00 0.00 N ATOM 301 CA ALA A 21 -12.864 -8.589 -10.759 1.00 0.00 C ATOM 302 C ALA A 21 -11.369 -8.508 -10.503 1.00 0.00 C ATOM 303 O ALA A 21 -10.555 -8.752 -11.393 1.00 0.00 O ATOM 304 CB ALA A 21 -13.422 -7.223 -11.136 1.00 0.00 C ATOM 0 H ALA A 21 -14.195 -8.456 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.038 -9.267 -11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.904 -6.849 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.487 -7.312 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.275 -6.529 -10.308 1.00 0.00 H new ATOM 310 N LEU A 22 -11.022 -8.182 -9.267 1.00 0.00 N ATOM 311 CA LEU A 22 -9.634 -8.104 -8.857 1.00 0.00 C ATOM 312 C LEU A 22 -9.001 -9.485 -8.876 1.00 0.00 C ATOM 313 O LEU A 22 -7.923 -9.679 -9.428 1.00 0.00 O ATOM 314 CB LEU A 22 -9.527 -7.490 -7.461 1.00 0.00 C ATOM 315 CG LEU A 22 -9.744 -5.978 -7.398 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.093 -5.548 -5.981 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.507 -5.243 -7.891 1.00 0.00 C ATOM 0 H LEU A 22 -11.691 -7.966 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.098 -7.466 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.257 -7.973 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.541 -7.717 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.579 -5.721 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.244 -4.469 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.007 -6.050 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.279 -5.817 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.678 -4.168 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.654 -5.505 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.301 -5.529 -8.922 1.00 0.00 H new ATOM 329 N GLU A 23 -9.703 -10.452 -8.295 1.00 0.00 N ATOM 330 CA GLU A 23 -9.190 -11.812 -8.192 1.00 0.00 C ATOM 331 C GLU A 23 -9.267 -12.534 -9.532 1.00 0.00 C ATOM 332 O GLU A 23 -8.674 -13.597 -9.712 1.00 0.00 O ATOM 333 CB GLU A 23 -9.956 -12.593 -7.127 1.00 0.00 C ATOM 334 CG GLU A 23 -9.618 -12.166 -5.708 1.00 0.00 C ATOM 335 CD GLU A 23 -10.406 -12.922 -4.659 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.460 -13.497 -4.994 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.974 -12.938 -3.484 1.00 0.00 O ATOM 0 H GLU A 23 -10.629 -10.319 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.142 -11.752 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.026 -12.465 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.740 -13.655 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.553 -12.317 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.811 -11.099 -5.600 1.00 0.00 H new ATOM 344 N LYS A 24 -9.996 -11.949 -10.474 1.00 0.00 N ATOM 345 CA LYS A 24 -10.058 -12.485 -11.824 1.00 0.00 C ATOM 346 C LYS A 24 -8.752 -12.194 -12.539 1.00 0.00 C ATOM 347 O LYS A 24 -8.351 -12.911 -13.457 1.00 0.00 O ATOM 348 CB LYS A 24 -11.227 -11.870 -12.595 1.00 0.00 C ATOM 349 CG LYS A 24 -12.427 -12.794 -12.719 1.00 0.00 C ATOM 350 CD LYS A 24 -12.531 -13.386 -14.115 1.00 0.00 C ATOM 351 CE LYS A 24 -13.773 -14.252 -14.263 1.00 0.00 C ATOM 352 NZ LYS A 24 -13.637 -15.239 -15.366 1.00 0.00 N ATOM 0 H LYS A 24 -10.551 -11.106 -10.327 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.214 -13.563 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.536 -10.951 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.888 -11.593 -13.593 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.346 -13.597 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.338 -12.242 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.557 -12.582 -14.851 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.643 -13.982 -14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.961 -14.778 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.638 -13.616 -14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.505 -15.808 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.483 -14.737 -16.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.828 -15.863 -15.175 1.00 0.00 H new ATOM 366 N VAL A 25 -8.099 -11.130 -12.103 1.00 0.00 N ATOM 367 CA VAL A 25 -6.791 -10.764 -12.603 1.00 0.00 C ATOM 368 C VAL A 25 -5.718 -11.520 -11.822 1.00 0.00 C ATOM 369 O VAL A 25 -5.596 -11.359 -10.606 1.00 0.00 O ATOM 370 CB VAL A 25 -6.563 -9.241 -12.478 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.141 -8.862 -12.866 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.568 -8.482 -13.331 1.00 0.00 C ATOM 0 H VAL A 25 -8.464 -10.497 -11.391 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.731 -11.032 -13.658 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.710 -8.964 -11.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.012 -7.784 -12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.436 -9.373 -12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.955 -9.157 -13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.394 -7.411 -13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.453 -8.773 -14.375 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.579 -8.718 -12.998 1.00 0.00 H new ATOM 382 N PRO A 26 -4.926 -12.357 -12.511 1.00 0.00 N ATOM 383 CA PRO A 26 -3.903 -13.203 -11.874 1.00 0.00 C ATOM 384 C PRO A 26 -2.804 -12.388 -11.188 1.00 0.00 C ATOM 385 O PRO A 26 -1.964 -12.933 -10.470 1.00 0.00 O ATOM 386 CB PRO A 26 -3.320 -14.010 -13.042 1.00 0.00 C ATOM 387 CG PRO A 26 -4.331 -13.907 -14.132 1.00 0.00 C ATOM 388 CD PRO A 26 -4.968 -12.559 -13.968 1.00 0.00 C ATOM 0 HA PRO A 26 -4.331 -13.819 -11.083 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.358 -13.606 -13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.152 -15.049 -12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.862 -14.002 -15.111 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.072 -14.702 -14.055 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.417 -11.783 -14.500 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.989 -12.544 -14.350 1.00 0.00 H new ATOM 396 N GLY A 27 -2.820 -11.080 -11.402 1.00 0.00 N ATOM 397 CA GLY A 27 -1.828 -10.217 -10.799 1.00 0.00 C ATOM 398 C GLY A 27 -2.149 -9.876 -9.356 1.00 0.00 C ATOM 399 O GLY A 27 -1.309 -9.331 -8.644 1.00 0.00 O ATOM 0 H GLY A 27 -3.506 -10.601 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.853 -10.703 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.753 -9.296 -11.378 1.00 0.00 H new ATOM 403 N VAL A 28 -3.360 -10.199 -8.919 1.00 0.00 N ATOM 404 CA VAL A 28 -3.777 -9.916 -7.550 1.00 0.00 C ATOM 405 C VAL A 28 -3.553 -11.138 -6.657 1.00 0.00 C ATOM 406 O VAL A 28 -3.972 -12.249 -6.987 1.00 0.00 O ATOM 407 CB VAL A 28 -5.260 -9.480 -7.495 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.800 -9.516 -6.072 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.423 -8.089 -8.094 1.00 0.00 C ATOM 0 H VAL A 28 -4.070 -10.656 -9.491 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.167 -9.092 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.840 -10.189 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.844 -9.204 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.724 -10.530 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.219 -8.840 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.471 -7.794 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.821 -7.377 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.093 -8.099 -9.133 1.00 0.00 H new ATOM 419 N GLN A 29 -2.872 -10.927 -5.539 1.00 0.00 N ATOM 420 CA GLN A 29 -2.592 -12.000 -4.593 1.00 0.00 C ATOM 421 C GLN A 29 -3.586 -11.975 -3.435 1.00 0.00 C ATOM 422 O GLN A 29 -4.030 -13.024 -2.963 1.00 0.00 O ATOM 423 CB GLN A 29 -1.163 -11.878 -4.057 1.00 0.00 C ATOM 424 CG GLN A 29 -0.180 -12.834 -4.711 1.00 0.00 C ATOM 425 CD GLN A 29 0.705 -13.542 -3.702 1.00 0.00 C ATOM 426 OE1 GLN A 29 0.621 -13.290 -2.498 1.00 0.00 O ATOM 427 NE2 GLN A 29 1.560 -14.431 -4.181 1.00 0.00 N ATOM 0 H GLN A 29 -2.501 -10.018 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.695 -12.950 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.815 -10.856 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.171 -12.059 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.731 -13.576 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.445 -12.282 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.599 -14.612 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.180 -14.936 -3.547 1.00 0.00 H new ATOM 436 N SER A 30 -3.938 -10.776 -2.987 1.00 0.00 N ATOM 437 CA SER A 30 -4.883 -10.615 -1.888 1.00 0.00 C ATOM 438 C SER A 30 -5.609 -9.278 -2.004 1.00 0.00 C ATOM 439 O SER A 30 -5.010 -8.216 -1.839 1.00 0.00 O ATOM 440 CB SER A 30 -4.163 -10.701 -0.535 1.00 0.00 C ATOM 441 OG SER A 30 -2.815 -11.123 -0.685 1.00 0.00 O ATOM 0 H SER A 30 -3.583 -9.899 -3.368 1.00 0.00 H new ATOM 0 HA SER A 30 -5.613 -11.423 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.187 -9.727 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.692 -11.397 0.116 1.00 0.00 H new ATOM 0 HG SER A 30 -2.386 -11.166 0.195 1.00 0.00 H new ATOM 447 N ALA A 31 -6.897 -9.334 -2.308 1.00 0.00 N ATOM 448 CA ALA A 31 -7.701 -8.131 -2.456 1.00 0.00 C ATOM 449 C ALA A 31 -8.495 -7.850 -1.184 1.00 0.00 C ATOM 450 O ALA A 31 -9.614 -8.336 -1.012 1.00 0.00 O ATOM 451 CB ALA A 31 -8.630 -8.261 -3.653 1.00 0.00 C ATOM 0 H ALA A 31 -7.409 -10.203 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.032 -7.288 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.226 -7.353 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.040 -8.408 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.292 -9.115 -3.509 1.00 0.00 H new ATOM 457 N LEU A 32 -7.907 -7.066 -0.293 1.00 0.00 N ATOM 458 CA LEU A 32 -8.546 -6.713 0.967 1.00 0.00 C ATOM 459 C LEU A 32 -9.378 -5.445 0.806 1.00 0.00 C ATOM 460 O LEU A 32 -8.967 -4.360 1.220 1.00 0.00 O ATOM 461 CB LEU A 32 -7.494 -6.510 2.061 1.00 0.00 C ATOM 462 CG LEU A 32 -7.000 -7.791 2.734 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.479 -7.837 2.741 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.547 -7.889 4.150 1.00 0.00 C ATOM 0 H LEU A 32 -6.981 -6.659 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.204 -7.532 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.638 -5.992 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.910 -5.854 2.826 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.364 -8.646 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.145 -8.755 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.109 -7.811 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.092 -6.978 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.187 -8.806 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.210 -7.030 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.636 -7.901 4.119 1.00 0.00 H new ATOM 476 N VAL A 33 -10.535 -5.581 0.182 1.00 0.00 N ATOM 477 CA VAL A 33 -11.430 -4.451 -0.014 1.00 0.00 C ATOM 478 C VAL A 33 -12.202 -4.164 1.271 1.00 0.00 C ATOM 479 O VAL A 33 -12.799 -5.066 1.860 1.00 0.00 O ATOM 480 CB VAL A 33 -12.426 -4.708 -1.161 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.112 -3.417 -1.582 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.728 -5.360 -2.347 1.00 0.00 C ATOM 0 H VAL A 33 -10.878 -6.463 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.817 -3.589 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.191 -5.395 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.810 -3.624 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.654 -3.000 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.363 -2.701 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.451 -5.532 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.937 -4.704 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.296 -6.312 -2.037 1.00 0.00 H new ATOM 492 N SER A 34 -12.172 -2.914 1.706 1.00 0.00 N ATOM 493 CA SER A 34 -12.825 -2.513 2.939 1.00 0.00 C ATOM 494 C SER A 34 -14.095 -1.721 2.647 1.00 0.00 C ATOM 495 O SER A 34 -14.040 -0.571 2.196 1.00 0.00 O ATOM 496 CB SER A 34 -11.863 -1.684 3.789 1.00 0.00 C ATOM 497 OG SER A 34 -10.522 -2.108 3.592 1.00 0.00 O ATOM 0 H SER A 34 -11.697 -2.155 1.217 1.00 0.00 H new ATOM 0 HA SER A 34 -13.106 -3.409 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.958 -0.630 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.128 -1.778 4.842 1.00 0.00 H new ATOM 0 HG SER A 34 -9.922 -1.564 4.144 1.00 0.00 H new ATOM 503 N TYR A 35 -15.237 -2.346 2.916 1.00 0.00 N ATOM 504 CA TYR A 35 -16.538 -1.734 2.679 1.00 0.00 C ATOM 505 C TYR A 35 -16.777 -0.500 3.574 1.00 0.00 C ATOM 506 O TYR A 35 -17.237 0.523 3.070 1.00 0.00 O ATOM 507 CB TYR A 35 -17.660 -2.791 2.820 1.00 0.00 C ATOM 508 CG TYR A 35 -18.671 -2.554 3.930 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.635 -1.556 3.829 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.662 -3.338 5.076 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.551 -1.345 4.841 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.577 -3.133 6.091 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.519 -2.136 5.970 1.00 0.00 C ATOM 514 OH TYR A 35 -21.426 -1.927 6.982 1.00 0.00 O ATOM 0 H TYR A 35 -15.286 -3.288 3.303 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.554 -1.362 1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.198 -2.848 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.196 -3.764 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.668 -0.936 2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.926 -4.122 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.290 -0.563 4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.553 -3.752 6.976 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.266 -2.571 7.703 1.00 0.00 H new ATOM 524 N PRO A 36 -16.466 -0.542 4.900 1.00 0.00 N ATOM 525 CA PRO A 36 -16.728 0.592 5.793 1.00 0.00 C ATOM 526 C PRO A 36 -15.733 1.732 5.592 1.00 0.00 C ATOM 527 O PRO A 36 -15.868 2.802 6.185 1.00 0.00 O ATOM 528 CB PRO A 36 -16.583 0.003 7.206 1.00 0.00 C ATOM 529 CG PRO A 36 -16.406 -1.470 7.023 1.00 0.00 C ATOM 530 CD PRO A 36 -15.858 -1.658 5.641 1.00 0.00 C ATOM 0 HA PRO A 36 -17.710 1.026 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.728 0.437 7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.464 0.218 7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.724 -1.876 7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.355 -1.993 7.140 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.769 -1.609 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.139 -2.624 5.221 1.00 0.00 H new ATOM 538 N LYS A 37 -14.728 1.496 4.763 1.00 0.00 N ATOM 539 CA LYS A 37 -13.723 2.507 4.485 1.00 0.00 C ATOM 540 C LYS A 37 -13.932 3.101 3.098 1.00 0.00 C ATOM 541 O LYS A 37 -13.627 4.268 2.859 1.00 0.00 O ATOM 542 CB LYS A 37 -12.321 1.903 4.601 1.00 0.00 C ATOM 543 CG LYS A 37 -11.612 2.251 5.901 1.00 0.00 C ATOM 544 CD LYS A 37 -10.294 1.507 6.036 1.00 0.00 C ATOM 545 CE LYS A 37 -9.958 1.220 7.492 1.00 0.00 C ATOM 546 NZ LYS A 37 -10.387 -0.144 7.900 1.00 0.00 N ATOM 0 H LYS A 37 -14.588 0.613 4.272 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.822 3.307 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.394 0.819 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.715 2.249 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.430 3.325 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.257 2.006 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.347 0.569 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.495 2.097 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.884 1.324 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.443 1.959 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.141 -0.301 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.416 -0.235 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.905 -0.851 7.309 1.00 0.00 H new ATOM 560 N GLY A 38 -14.470 2.293 2.193 1.00 0.00 N ATOM 561 CA GLY A 38 -14.676 2.735 0.829 1.00 0.00 C ATOM 562 C GLY A 38 -13.415 2.606 0.006 1.00 0.00 C ATOM 563 O GLY A 38 -13.272 3.246 -1.041 1.00 0.00 O ATOM 0 H GLY A 38 -14.768 1.336 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.472 2.147 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.007 3.774 0.828 1.00 0.00 H new ATOM 567 N THR A 39 -12.501 1.771 0.481 1.00 0.00 N ATOM 568 CA THR A 39 -11.212 1.601 -0.169 1.00 0.00 C ATOM 569 C THR A 39 -10.862 0.125 -0.301 1.00 0.00 C ATOM 570 O THR A 39 -11.490 -0.727 0.325 1.00 0.00 O ATOM 571 CB THR A 39 -10.095 2.321 0.614 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.454 2.432 1.998 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.839 3.706 0.041 1.00 0.00 C ATOM 0 H THR A 39 -12.630 1.200 1.316 1.00 0.00 H new ATOM 0 HA THR A 39 -11.289 2.042 -1.163 1.00 0.00 H new ATOM 0 HB THR A 39 -9.183 1.731 0.523 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.738 2.889 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.047 4.194 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.535 3.618 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.751 4.300 0.104 1.00 0.00 H new ATOM 581 N ALA A 40 -9.872 -0.176 -1.123 1.00 0.00 N ATOM 582 CA ALA A 40 -9.427 -1.545 -1.310 1.00 0.00 C ATOM 583 C ALA A 40 -7.917 -1.646 -1.174 1.00 0.00 C ATOM 584 O ALA A 40 -7.181 -0.829 -1.728 1.00 0.00 O ATOM 585 CB ALA A 40 -9.870 -2.057 -2.671 1.00 0.00 C ATOM 0 H ALA A 40 -9.359 0.513 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.880 -2.163 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.531 -3.085 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.957 -2.023 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.440 -1.431 -3.453 1.00 0.00 H new ATOM 591 N GLN A 41 -7.461 -2.637 -0.428 1.00 0.00 N ATOM 592 CA GLN A 41 -6.036 -2.896 -0.291 1.00 0.00 C ATOM 593 C GLN A 41 -5.674 -4.150 -1.080 1.00 0.00 C ATOM 594 O GLN A 41 -5.899 -5.271 -0.625 1.00 0.00 O ATOM 595 CB GLN A 41 -5.653 -3.052 1.186 1.00 0.00 C ATOM 596 CG GLN A 41 -4.189 -3.408 1.409 1.00 0.00 C ATOM 597 CD GLN A 41 -3.271 -2.203 1.352 1.00 0.00 C ATOM 598 OE1 GLN A 41 -3.380 -1.359 0.462 1.00 0.00 O ATOM 599 NE2 GLN A 41 -2.353 -2.117 2.302 1.00 0.00 N ATOM 0 H GLN A 41 -8.058 -3.278 0.094 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.477 -2.049 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.874 -2.122 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.277 -3.825 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.083 -3.893 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.878 -4.131 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.295 -2.837 3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.704 -1.331 2.314 1.00 0.00 H new ATOM 608 N LEU A 42 -5.137 -3.958 -2.272 1.00 0.00 N ATOM 609 CA LEU A 42 -4.851 -5.078 -3.152 1.00 0.00 C ATOM 610 C LEU A 42 -3.364 -5.398 -3.173 1.00 0.00 C ATOM 611 O LEU A 42 -2.560 -4.626 -3.691 1.00 0.00 O ATOM 612 CB LEU A 42 -5.339 -4.786 -4.574 1.00 0.00 C ATOM 613 CG LEU A 42 -5.747 -3.335 -4.842 1.00 0.00 C ATOM 614 CD1 LEU A 42 -5.067 -2.812 -6.098 1.00 0.00 C ATOM 615 CD2 LEU A 42 -7.258 -3.227 -4.966 1.00 0.00 C ATOM 0 H LEU A 42 -4.891 -3.044 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.384 -5.945 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.550 -5.059 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.192 -5.431 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.424 -2.722 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.369 -1.779 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.985 -2.857 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.359 -3.424 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.534 -2.190 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.601 -3.851 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.724 -3.562 -4.039 1.00 0.00 H new ATOM 627 N ALA A 43 -3.004 -6.535 -2.601 1.00 0.00 N ATOM 628 CA ALA A 43 -1.638 -7.014 -2.669 1.00 0.00 C ATOM 629 C ALA A 43 -1.418 -7.672 -4.018 1.00 0.00 C ATOM 630 O ALA A 43 -1.993 -8.723 -4.302 1.00 0.00 O ATOM 631 CB ALA A 43 -1.353 -7.994 -1.541 1.00 0.00 C ATOM 0 H ALA A 43 -3.641 -7.142 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.952 -6.174 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.322 -8.341 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.504 -7.499 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.028 -8.846 -1.620 1.00 0.00 H new ATOM 637 N ILE A 44 -0.619 -7.043 -4.856 1.00 0.00 N ATOM 638 CA ILE A 44 -0.431 -7.515 -6.218 1.00 0.00 C ATOM 639 C ILE A 44 0.953 -8.111 -6.412 1.00 0.00 C ATOM 640 O ILE A 44 1.863 -7.875 -5.615 1.00 0.00 O ATOM 641 CB ILE A 44 -0.638 -6.382 -7.249 1.00 0.00 C ATOM 642 CG1 ILE A 44 0.076 -5.105 -6.800 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.122 -6.121 -7.462 1.00 0.00 C ATOM 644 CD1 ILE A 44 1.006 -4.525 -7.843 1.00 0.00 C ATOM 0 H ILE A 44 -0.089 -6.204 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.183 -8.287 -6.383 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.205 -6.698 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.671 -4.356 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.647 -5.318 -5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.250 -5.321 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.602 -7.028 -7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.579 -5.828 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.475 -3.622 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.776 -5.256 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.438 -4.279 -8.740 1.00 0.00 H new ATOM 656 N VAL A 45 1.099 -8.896 -7.464 1.00 0.00 N ATOM 657 CA VAL A 45 2.388 -9.455 -7.832 1.00 0.00 C ATOM 658 C VAL A 45 3.263 -8.362 -8.434 1.00 0.00 C ATOM 659 O VAL A 45 2.852 -7.694 -9.389 1.00 0.00 O ATOM 660 CB VAL A 45 2.231 -10.608 -8.849 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.583 -11.206 -9.213 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.300 -11.681 -8.305 1.00 0.00 C ATOM 0 H VAL A 45 0.334 -9.163 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 45 2.855 -9.856 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 45 1.790 -10.196 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.442 -12.015 -9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.215 -10.435 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.062 -11.597 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.203 -12.483 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.710 -12.082 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.319 -11.247 -8.110 1.00 0.00 H new ATOM 672 N PRO A 46 4.460 -8.148 -7.862 1.00 0.00 N ATOM 673 CA PRO A 46 5.410 -7.130 -8.335 1.00 0.00 C ATOM 674 C PRO A 46 5.660 -7.210 -9.840 1.00 0.00 C ATOM 675 O PRO A 46 6.326 -8.126 -10.326 1.00 0.00 O ATOM 676 CB PRO A 46 6.689 -7.457 -7.559 1.00 0.00 C ATOM 677 CG PRO A 46 6.211 -8.105 -6.307 1.00 0.00 C ATOM 678 CD PRO A 46 4.980 -8.880 -6.688 1.00 0.00 C ATOM 0 HA PRO A 46 5.038 -6.119 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.339 -8.123 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.264 -6.556 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.974 -8.763 -5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.983 -7.360 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.218 -9.915 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.253 -8.904 -5.876 1.00 0.00 H new ATOM 686 N GLY A 47 5.114 -6.249 -10.573 1.00 0.00 N ATOM 687 CA GLY A 47 5.264 -6.244 -12.010 1.00 0.00 C ATOM 688 C GLY A 47 3.949 -6.016 -12.721 1.00 0.00 C ATOM 689 O GLY A 47 3.909 -5.395 -13.781 1.00 0.00 O ATOM 0 H GLY A 47 4.570 -5.473 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.970 -5.465 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.689 -7.194 -12.332 1.00 0.00 H new ATOM 693 N THR A 48 2.871 -6.508 -12.126 1.00 0.00 N ATOM 694 CA THR A 48 1.544 -6.356 -12.703 1.00 0.00 C ATOM 695 C THR A 48 1.109 -4.901 -12.680 1.00 0.00 C ATOM 696 O THR A 48 1.256 -4.214 -11.668 1.00 0.00 O ATOM 697 CB THR A 48 0.508 -7.212 -11.952 1.00 0.00 C ATOM 698 OG1 THR A 48 1.148 -8.356 -11.363 1.00 0.00 O ATOM 699 CG2 THR A 48 -0.594 -7.667 -12.896 1.00 0.00 C ATOM 0 H THR A 48 2.891 -7.017 -11.242 1.00 0.00 H new ATOM 0 HA THR A 48 1.598 -6.698 -13.737 1.00 0.00 H new ATOM 0 HB THR A 48 0.064 -6.604 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.509 -8.113 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.317 -8.271 -12.347 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.095 -6.795 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.161 -8.261 -13.701 1.00 0.00 H new ATOM 707 N SER A 49 0.589 -4.436 -13.804 1.00 0.00 N ATOM 708 CA SER A 49 0.171 -3.056 -13.943 1.00 0.00 C ATOM 709 C SER A 49 -1.154 -2.803 -13.223 1.00 0.00 C ATOM 710 O SER A 49 -2.202 -3.304 -13.636 1.00 0.00 O ATOM 711 CB SER A 49 0.054 -2.716 -15.427 1.00 0.00 C ATOM 712 OG SER A 49 0.223 -3.883 -16.220 1.00 0.00 O ATOM 0 H SER A 49 0.446 -5.003 -14.640 1.00 0.00 H new ATOM 0 HA SER A 49 0.918 -2.411 -13.481 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.920 -2.270 -15.628 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.806 -1.974 -15.696 1.00 0.00 H new ATOM 0 HG SER A 49 -0.573 -4.449 -16.143 1.00 0.00 H new ATOM 718 N PRO A 50 -1.131 -2.008 -12.142 1.00 0.00 N ATOM 719 CA PRO A 50 -2.320 -1.741 -11.326 1.00 0.00 C ATOM 720 C PRO A 50 -3.357 -0.905 -12.058 1.00 0.00 C ATOM 721 O PRO A 50 -4.508 -0.827 -11.640 1.00 0.00 O ATOM 722 CB PRO A 50 -1.777 -0.973 -10.112 1.00 0.00 C ATOM 723 CG PRO A 50 -0.293 -1.141 -10.164 1.00 0.00 C ATOM 724 CD PRO A 50 0.053 -1.315 -11.613 1.00 0.00 C ATOM 0 HA PRO A 50 -2.833 -2.666 -11.062 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.055 0.080 -10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.185 -1.370 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.213 -0.272 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.022 -2.006 -9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.218 -0.358 -12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.961 -1.904 -11.746 1.00 0.00 H new ATOM 732 N ASP A 51 -2.941 -0.318 -13.171 1.00 0.00 N ATOM 733 CA ASP A 51 -3.811 0.521 -13.982 1.00 0.00 C ATOM 734 C ASP A 51 -4.890 -0.341 -14.602 1.00 0.00 C ATOM 735 O ASP A 51 -5.993 0.122 -14.902 1.00 0.00 O ATOM 736 CB ASP A 51 -2.969 1.212 -15.064 1.00 0.00 C ATOM 737 CG ASP A 51 -3.745 1.554 -16.326 1.00 0.00 C ATOM 738 OD1 ASP A 51 -3.864 0.680 -17.210 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.216 2.704 -16.445 1.00 0.00 O ATOM 0 H ASP A 51 -1.993 -0.410 -13.536 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.288 1.286 -13.369 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.545 2.127 -14.651 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.133 0.565 -15.328 1.00 0.00 H new ATOM 744 N ALA A 52 -4.568 -1.618 -14.745 1.00 0.00 N ATOM 745 CA ALA A 52 -5.476 -2.572 -15.347 1.00 0.00 C ATOM 746 C ALA A 52 -6.669 -2.810 -14.444 1.00 0.00 C ATOM 747 O ALA A 52 -7.790 -3.000 -14.913 1.00 0.00 O ATOM 748 CB ALA A 52 -4.764 -3.882 -15.643 1.00 0.00 C ATOM 0 H ALA A 52 -3.677 -2.016 -14.449 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.831 -2.156 -16.290 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.465 -4.583 -16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.939 -3.700 -16.331 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.377 -4.303 -14.715 1.00 0.00 H new ATOM 754 N LEU A 53 -6.421 -2.770 -13.144 1.00 0.00 N ATOM 755 CA LEU A 53 -7.464 -2.984 -12.158 1.00 0.00 C ATOM 756 C LEU A 53 -8.363 -1.760 -12.083 1.00 0.00 C ATOM 757 O LEU A 53 -9.590 -1.875 -12.067 1.00 0.00 O ATOM 758 CB LEU A 53 -6.846 -3.272 -10.788 1.00 0.00 C ATOM 759 CG LEU A 53 -5.655 -4.232 -10.804 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.789 -4.030 -9.574 1.00 0.00 C ATOM 761 CD2 LEU A 53 -6.133 -5.672 -10.893 1.00 0.00 C ATOM 0 H LEU A 53 -5.499 -2.590 -12.747 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.062 -3.845 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.527 -2.329 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.617 -3.685 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.051 -4.016 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.947 -4.722 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.416 -3.006 -9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.381 -4.217 -8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.273 -6.341 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.760 -5.901 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.709 -5.808 -11.808 1.00 0.00 H new ATOM 773 N THR A 54 -7.739 -0.590 -12.061 1.00 0.00 N ATOM 774 CA THR A 54 -8.461 0.667 -12.052 1.00 0.00 C ATOM 775 C THR A 54 -9.359 0.780 -13.279 1.00 0.00 C ATOM 776 O THR A 54 -10.554 1.074 -13.169 1.00 0.00 O ATOM 777 CB THR A 54 -7.472 1.848 -12.020 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.151 1.357 -11.771 1.00 0.00 O ATOM 779 CG2 THR A 54 -7.851 2.851 -10.944 1.00 0.00 C ATOM 0 H THR A 54 -6.724 -0.490 -12.049 1.00 0.00 H new ATOM 0 HA THR A 54 -9.084 0.697 -11.158 1.00 0.00 H new ATOM 0 HB THR A 54 -7.507 2.352 -12.986 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.521 2.108 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.135 3.673 -10.945 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.850 3.239 -11.144 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.840 2.361 -9.970 1.00 0.00 H new ATOM 787 N ALA A 55 -8.780 0.518 -14.444 1.00 0.00 N ATOM 788 CA ALA A 55 -9.519 0.569 -15.695 1.00 0.00 C ATOM 789 C ALA A 55 -10.574 -0.523 -15.747 1.00 0.00 C ATOM 790 O ALA A 55 -11.635 -0.338 -16.339 1.00 0.00 O ATOM 791 CB ALA A 55 -8.574 0.463 -16.883 1.00 0.00 C ATOM 0 H ALA A 55 -7.797 0.267 -14.547 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.027 1.532 -15.748 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.148 0.503 -17.809 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.865 1.291 -16.859 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.031 -0.481 -16.833 1.00 0.00 H new ATOM 797 N ALA A 56 -10.280 -1.664 -15.133 1.00 0.00 N ATOM 798 CA ALA A 56 -11.248 -2.750 -15.060 1.00 0.00 C ATOM 799 C ALA A 56 -12.477 -2.320 -14.275 1.00 0.00 C ATOM 800 O ALA A 56 -13.602 -2.462 -14.751 1.00 0.00 O ATOM 801 CB ALA A 56 -10.634 -3.996 -14.437 1.00 0.00 C ATOM 0 H ALA A 56 -9.386 -1.859 -14.682 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.550 -2.994 -16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.381 -4.789 -14.396 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.788 -4.325 -15.040 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.292 -3.767 -13.427 1.00 0.00 H new ATOM 807 N VAL A 57 -12.259 -1.769 -13.085 1.00 0.00 N ATOM 808 CA VAL A 57 -13.366 -1.341 -12.241 1.00 0.00 C ATOM 809 C VAL A 57 -14.105 -0.160 -12.870 1.00 0.00 C ATOM 810 O VAL A 57 -15.338 -0.127 -12.881 1.00 0.00 O ATOM 811 CB VAL A 57 -12.897 -0.969 -10.820 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.074 -0.552 -9.947 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.146 -2.127 -10.178 1.00 0.00 C ATOM 0 H VAL A 57 -11.333 -1.610 -12.687 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.048 -2.187 -12.159 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.218 -0.121 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.715 -0.295 -8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.567 0.314 -10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.784 -1.376 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.825 -1.842 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.802 -2.996 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.273 -2.374 -10.782 1.00 0.00 H new ATOM 823 N ALA A 58 -13.356 0.798 -13.413 1.00 0.00 N ATOM 824 CA ALA A 58 -13.964 1.946 -14.073 1.00 0.00 C ATOM 825 C ALA A 58 -14.717 1.519 -15.329 1.00 0.00 C ATOM 826 O ALA A 58 -15.738 2.102 -15.687 1.00 0.00 O ATOM 827 CB ALA A 58 -12.910 2.990 -14.404 1.00 0.00 C ATOM 0 H ALA A 58 -12.336 0.801 -13.408 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.684 2.391 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.382 3.840 -14.896 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.428 3.324 -13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.163 2.555 -15.068 1.00 0.00 H new ATOM 833 N GLY A 59 -14.219 0.480 -15.979 1.00 0.00 N ATOM 834 CA GLY A 59 -14.839 -0.008 -17.194 1.00 0.00 C ATOM 835 C GLY A 59 -16.018 -0.914 -16.915 1.00 0.00 C ATOM 836 O GLY A 59 -16.728 -1.324 -17.831 1.00 0.00 O ATOM 0 H GLY A 59 -13.391 -0.038 -15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.169 0.839 -17.796 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.100 -0.549 -17.784 1.00 0.00 H new ATOM 840 N LEU A 60 -16.231 -1.222 -15.642 1.00 0.00 N ATOM 841 CA LEU A 60 -17.346 -2.063 -15.233 1.00 0.00 C ATOM 842 C LEU A 60 -18.573 -1.213 -14.935 1.00 0.00 C ATOM 843 O LEU A 60 -19.574 -1.698 -14.407 1.00 0.00 O ATOM 844 CB LEU A 60 -16.964 -2.895 -14.009 1.00 0.00 C ATOM 845 CG LEU A 60 -16.746 -4.386 -14.272 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.544 -4.894 -13.491 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.995 -5.175 -13.909 1.00 0.00 C ATOM 0 H LEU A 60 -15.643 -0.900 -14.873 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.586 -2.741 -16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.051 -2.482 -13.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.747 -2.786 -13.258 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.547 -4.526 -15.334 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.403 -5.956 -13.690 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.653 -4.346 -13.798 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.713 -4.744 -12.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.825 -6.234 -14.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.223 -5.030 -12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.833 -4.827 -14.512 1.00 0.00 H new ATOM 859 N GLY A 61 -18.481 0.059 -15.280 1.00 0.00 N ATOM 860 CA GLY A 61 -19.581 0.975 -15.064 1.00 0.00 C ATOM 861 C GLY A 61 -19.390 1.829 -13.830 1.00 0.00 C ATOM 862 O GLY A 61 -20.038 2.865 -13.678 1.00 0.00 O ATOM 0 H GLY A 61 -17.657 0.478 -15.710 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.688 1.621 -15.936 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.508 0.409 -14.970 1.00 0.00 H new ATOM 866 N TYR A 62 -18.490 1.408 -12.953 1.00 0.00 N ATOM 867 CA TYR A 62 -18.238 2.143 -11.726 1.00 0.00 C ATOM 868 C TYR A 62 -17.046 3.071 -11.913 1.00 0.00 C ATOM 869 O TYR A 62 -16.678 3.409 -13.039 1.00 0.00 O ATOM 870 CB TYR A 62 -17.982 1.196 -10.540 1.00 0.00 C ATOM 871 CG TYR A 62 -18.490 -0.222 -10.719 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.832 -0.463 -10.979 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.631 -1.315 -10.643 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.307 -1.749 -11.153 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.099 -2.604 -10.818 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.404 -2.834 -11.023 1.00 0.00 C ATOM 877 OH TYR A 62 -19.914 -4.095 -11.250 1.00 0.00 O ATOM 0 H TYR A 62 -17.926 0.566 -13.069 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.128 2.730 -11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.909 1.159 -10.352 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.447 1.621 -9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.517 0.369 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.582 -1.153 -10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.347 -1.924 -11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.407 -3.433 -10.789 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.646 -4.040 -11.899 1.00 0.00 H new ATOM 887 N LYS A 63 -16.441 3.476 -10.810 1.00 0.00 N ATOM 888 CA LYS A 63 -15.272 4.333 -10.859 1.00 0.00 C ATOM 889 C LYS A 63 -14.211 3.818 -9.898 1.00 0.00 C ATOM 890 O LYS A 63 -14.486 3.578 -8.726 1.00 0.00 O ATOM 891 CB LYS A 63 -15.647 5.779 -10.516 1.00 0.00 C ATOM 892 CG LYS A 63 -14.448 6.682 -10.261 1.00 0.00 C ATOM 893 CD LYS A 63 -14.115 7.532 -11.474 1.00 0.00 C ATOM 894 CE LYS A 63 -12.806 7.111 -12.122 1.00 0.00 C ATOM 895 NZ LYS A 63 -12.557 7.843 -13.391 1.00 0.00 N ATOM 0 H LYS A 63 -16.742 3.224 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.870 4.317 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.236 6.195 -11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.284 5.779 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.655 7.330 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.584 6.073 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.922 7.455 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.052 8.579 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.983 7.293 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.826 6.039 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.655 7.528 -13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.329 7.650 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.512 8.864 -13.200 1.00 0.00 H new ATOM 909 N ALA A 64 -13.008 3.619 -10.399 1.00 0.00 N ATOM 910 CA ALA A 64 -11.907 3.217 -9.552 1.00 0.00 C ATOM 911 C ALA A 64 -10.840 4.292 -9.523 1.00 0.00 C ATOM 912 O ALA A 64 -10.472 4.846 -10.559 1.00 0.00 O ATOM 913 CB ALA A 64 -11.323 1.898 -10.020 1.00 0.00 C ATOM 0 H ALA A 64 -12.770 3.729 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.287 3.081 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.496 1.615 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.093 1.127 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.960 2.003 -11.042 1.00 0.00 H new ATOM 919 N THR A 65 -10.375 4.605 -8.332 1.00 0.00 N ATOM 920 CA THR A 65 -9.266 5.525 -8.166 1.00 0.00 C ATOM 921 C THR A 65 -8.168 4.846 -7.352 1.00 0.00 C ATOM 922 O THR A 65 -8.138 3.622 -7.255 1.00 0.00 O ATOM 923 CB THR A 65 -9.716 6.824 -7.471 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.138 6.811 -7.289 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.320 8.041 -8.294 1.00 0.00 C ATOM 0 H THR A 65 -10.749 4.234 -7.459 1.00 0.00 H new ATOM 0 HA THR A 65 -8.884 5.792 -9.151 1.00 0.00 H new ATOM 0 HB THR A 65 -9.223 6.883 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.419 7.638 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.648 8.947 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.237 8.063 -8.413 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.792 7.986 -9.275 1.00 0.00 H new ATOM 933 N LEU A 66 -7.297 5.624 -6.738 1.00 0.00 N ATOM 934 CA LEU A 66 -6.223 5.069 -5.931 1.00 0.00 C ATOM 935 C LEU A 66 -5.828 6.071 -4.861 1.00 0.00 C ATOM 936 O LEU A 66 -5.687 7.262 -5.136 1.00 0.00 O ATOM 937 CB LEU A 66 -5.019 4.683 -6.811 1.00 0.00 C ATOM 938 CG LEU A 66 -3.715 5.435 -6.531 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.638 4.477 -6.044 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.252 6.178 -7.774 1.00 0.00 C ATOM 0 H LEU A 66 -7.311 6.643 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.572 4.158 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.833 3.616 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.291 4.843 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.901 6.166 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.719 5.031 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.970 3.993 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.452 3.721 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.324 6.707 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.084 5.466 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.016 6.895 -8.075 1.00 0.00 H new ATOM 952 N ALA A 67 -5.684 5.589 -3.641 1.00 0.00 N ATOM 953 CA ALA A 67 -5.430 6.458 -2.506 1.00 0.00 C ATOM 954 C ALA A 67 -4.307 5.903 -1.645 1.00 0.00 C ATOM 955 O ALA A 67 -4.507 5.587 -0.470 1.00 0.00 O ATOM 956 CB ALA A 67 -6.701 6.627 -1.685 1.00 0.00 C ATOM 0 H ALA A 67 -5.739 4.597 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.120 7.435 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.501 7.280 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.480 7.068 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.033 5.654 -1.324 1.00 0.00 H new