USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 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 34 SER OG : rot -110:sc= 0.444 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.507 X(o=0.95,f=0.51) USER MOD Set 2.1: A 7 THR OG1 : rot 59:sc= 1.14 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 3 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.13) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 139:sc= -3.11 (180deg=-8.77!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 97:sc= -0.588 USER MOD Single : A 17 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.01) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 1.96 (180deg=1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= -0.186 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= -1.09 USER MOD Single : A 48 THR OG1 : rot 150:sc= 0.00609 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.779 0.527 -2.651 1.00 0.00 N ATOM 35 CA HIS A 3 -4.128 0.838 -2.198 1.00 0.00 C ATOM 36 C HIS A 3 -4.953 1.382 -3.351 1.00 0.00 C ATOM 37 O HIS A 3 -4.461 2.157 -4.168 1.00 0.00 O ATOM 38 CB HIS A 3 -4.119 1.860 -1.064 1.00 0.00 C ATOM 39 CG HIS A 3 -3.814 1.296 0.293 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.316 0.023 0.502 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.943 1.848 1.523 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.159 -0.178 1.797 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.532 0.913 2.436 1.00 0.00 N ATOM 0 HA HIS A 3 -4.569 -0.087 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.383 2.631 -1.295 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.092 2.349 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.303 2.842 1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.788 -1.083 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.517 1.041 3.448 1.00 0.00 H new ATOM 52 N LEU A 4 -6.212 0.994 -3.389 1.00 0.00 N ATOM 53 CA LEU A 4 -7.116 1.395 -4.459 1.00 0.00 C ATOM 54 C LEU A 4 -8.333 2.084 -3.864 1.00 0.00 C ATOM 55 O LEU A 4 -8.695 1.819 -2.720 1.00 0.00 O ATOM 56 CB LEU A 4 -7.543 0.176 -5.284 1.00 0.00 C ATOM 57 CG LEU A 4 -8.131 0.492 -6.658 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.156 0.101 -7.755 1.00 0.00 C ATOM 59 CD2 LEU A 4 -9.455 -0.226 -6.846 1.00 0.00 C ATOM 0 H LEU A 4 -6.640 0.394 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.599 2.090 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.678 -0.473 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.280 -0.389 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.308 1.566 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.590 0.333 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.227 0.657 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.950 -0.968 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.860 0.010 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.300 -1.302 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.157 0.098 -6.077 1.00 0.00 H new ATOM 71 N LYS A 5 -8.952 2.971 -4.623 1.00 0.00 N ATOM 72 CA LYS A 5 -10.103 3.710 -4.131 1.00 0.00 C ATOM 73 C LYS A 5 -11.363 3.321 -4.894 1.00 0.00 C ATOM 74 O LYS A 5 -11.372 3.289 -6.128 1.00 0.00 O ATOM 75 CB LYS A 5 -9.858 5.215 -4.243 1.00 0.00 C ATOM 76 CG LYS A 5 -10.784 6.049 -3.376 1.00 0.00 C ATOM 77 CD LYS A 5 -10.670 7.528 -3.706 1.00 0.00 C ATOM 78 CE LYS A 5 -12.033 8.195 -3.753 1.00 0.00 C ATOM 79 NZ LYS A 5 -11.949 9.653 -3.477 1.00 0.00 N ATOM 0 H LYS A 5 -8.679 3.197 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.247 3.456 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.825 5.428 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.978 5.518 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.813 5.721 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.543 5.889 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.048 8.021 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.171 7.650 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.480 8.037 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.692 7.725 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.901 10.070 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.546 9.804 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.341 10.107 -4.189 1.00 0.00 H new ATOM 93 N ILE A 6 -12.416 3.023 -4.150 1.00 0.00 N ATOM 94 CA ILE A 6 -13.691 2.634 -4.730 1.00 0.00 C ATOM 95 C ILE A 6 -14.617 3.844 -4.791 1.00 0.00 C ATOM 96 O ILE A 6 -14.715 4.601 -3.825 1.00 0.00 O ATOM 97 CB ILE A 6 -14.354 1.511 -3.898 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.512 0.230 -3.962 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.776 1.245 -4.372 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.268 -0.281 -5.369 1.00 0.00 C ATOM 0 H ILE A 6 -12.411 3.044 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.513 2.258 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.404 1.841 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.551 0.415 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.011 -0.549 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.218 0.451 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.370 2.153 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.760 0.940 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.666 -1.188 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -14.223 -0.501 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.740 0.479 -5.946 1.00 0.00 H new ATOM 112 N THR A 7 -15.278 4.045 -5.925 1.00 0.00 N ATOM 113 CA THR A 7 -16.165 5.183 -6.086 1.00 0.00 C ATOM 114 C THR A 7 -17.418 4.793 -6.861 1.00 0.00 C ATOM 115 O THR A 7 -17.362 3.959 -7.772 1.00 0.00 O ATOM 116 CB THR A 7 -15.454 6.335 -6.817 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.158 5.905 -7.264 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.310 7.548 -5.910 1.00 0.00 C ATOM 0 H THR A 7 -15.215 3.436 -6.741 1.00 0.00 H new ATOM 0 HA THR A 7 -16.452 5.516 -5.088 1.00 0.00 H new ATOM 0 HB THR A 7 -16.059 6.619 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.257 5.132 -7.859 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.804 8.348 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.297 7.888 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.725 7.278 -5.031 1.00 0.00 H new ATOM 126 N GLY A 8 -18.545 5.375 -6.480 1.00 0.00 N ATOM 127 CA GLY A 8 -19.780 5.148 -7.199 1.00 0.00 C ATOM 128 C GLY A 8 -20.691 4.163 -6.500 1.00 0.00 C ATOM 129 O GLY A 8 -21.895 4.401 -6.368 1.00 0.00 O ATOM 0 H GLY A 8 -18.626 6.004 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.303 6.096 -7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.551 4.778 -8.198 1.00 0.00 H new ATOM 133 N MET A 9 -20.121 3.058 -6.041 1.00 0.00 N ATOM 134 CA MET A 9 -20.898 2.020 -5.373 1.00 0.00 C ATOM 135 C MET A 9 -21.151 2.395 -3.922 1.00 0.00 C ATOM 136 O MET A 9 -20.314 3.035 -3.285 1.00 0.00 O ATOM 137 CB MET A 9 -20.186 0.675 -5.448 1.00 0.00 C ATOM 138 CG MET A 9 -19.644 0.375 -6.826 1.00 0.00 C ATOM 139 SD MET A 9 -18.413 -0.938 -6.818 1.00 0.00 S ATOM 140 CE MET A 9 -16.976 -0.044 -7.403 1.00 0.00 C ATOM 0 H MET A 9 -19.124 2.856 -6.118 1.00 0.00 H new ATOM 0 HA MET A 9 -21.855 1.933 -5.887 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.366 0.663 -4.730 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.878 -0.114 -5.155 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.467 0.092 -7.482 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.201 1.280 -7.243 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.099 -0.354 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.819 -0.259 -8.460 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.134 1.026 -7.270 1.00 0.00 H new ATOM 150 N THR A 10 -22.308 2.004 -3.412 1.00 0.00 N ATOM 151 CA THR A 10 -22.685 2.324 -2.049 1.00 0.00 C ATOM 152 C THR A 10 -21.834 1.559 -1.041 1.00 0.00 C ATOM 153 O THR A 10 -21.078 2.161 -0.273 1.00 0.00 O ATOM 154 CB THR A 10 -24.171 2.004 -1.811 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.821 1.765 -3.070 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.865 3.142 -1.080 1.00 0.00 C ATOM 0 H THR A 10 -23.003 1.462 -3.926 1.00 0.00 H new ATOM 0 HA THR A 10 -22.515 3.391 -1.906 1.00 0.00 H new ATOM 0 HB THR A 10 -24.235 1.111 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.767 1.560 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.914 2.889 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.384 3.302 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.796 4.053 -1.675 1.00 0.00 H new ATOM 164 N CYS A 11 -21.937 0.234 -1.064 1.00 0.00 N ATOM 165 CA CYS A 11 -21.262 -0.606 -0.085 1.00 0.00 C ATOM 166 C CYS A 11 -21.483 -2.078 -0.400 1.00 0.00 C ATOM 167 O CYS A 11 -22.121 -2.384 -1.397 1.00 0.00 O ATOM 168 CB CYS A 11 -21.797 -0.294 1.308 1.00 0.00 C ATOM 169 SG CYS A 11 -23.602 -0.338 1.440 1.00 0.00 S ATOM 0 H CYS A 11 -22.484 -0.281 -1.754 1.00 0.00 H new ATOM 0 HA CYS A 11 -20.193 -0.399 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.375 -1.008 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -21.447 0.694 1.606 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.955 -0.062 2.660 1.00 0.00 H new ATOM 175 N ASP A 12 -20.862 -2.949 0.418 1.00 0.00 N ATOM 176 CA ASP A 12 -21.141 -4.412 0.508 1.00 0.00 C ATOM 177 C ASP A 12 -21.787 -5.048 -0.732 1.00 0.00 C ATOM 178 O ASP A 12 -22.886 -4.675 -1.140 1.00 0.00 O ATOM 179 CB ASP A 12 -22.008 -4.716 1.733 1.00 0.00 C ATOM 180 CG ASP A 12 -22.431 -6.175 1.802 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.578 -7.055 1.560 1.00 0.00 O ATOM 182 OD2 ASP A 12 -23.617 -6.444 2.099 1.00 0.00 O ATOM 0 H ASP A 12 -20.126 -2.653 1.059 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.154 -4.866 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.456 -4.458 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.896 -4.085 1.711 1.00 0.00 H new ATOM 187 N SER A 13 -21.120 -6.085 -1.245 1.00 0.00 N ATOM 188 CA SER A 13 -21.497 -6.785 -2.480 1.00 0.00 C ATOM 189 C SER A 13 -20.935 -6.043 -3.682 1.00 0.00 C ATOM 190 O SER A 13 -20.376 -6.653 -4.591 1.00 0.00 O ATOM 191 CB SER A 13 -23.016 -6.981 -2.614 1.00 0.00 C ATOM 192 OG SER A 13 -23.545 -7.664 -1.484 1.00 0.00 O ATOM 0 H SER A 13 -20.285 -6.471 -0.805 1.00 0.00 H new ATOM 0 HA SER A 13 -21.065 -7.785 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.503 -6.012 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.235 -7.546 -3.520 1.00 0.00 H new ATOM 0 HG SER A 13 -24.513 -7.775 -1.592 1.00 0.00 H new ATOM 198 N CYS A 14 -21.046 -4.721 -3.664 1.00 0.00 N ATOM 199 CA CYS A 14 -20.403 -3.896 -4.670 1.00 0.00 C ATOM 200 C CYS A 14 -18.890 -4.057 -4.563 1.00 0.00 C ATOM 201 O CYS A 14 -18.194 -4.205 -5.563 1.00 0.00 O ATOM 202 CB CYS A 14 -20.803 -2.430 -4.487 1.00 0.00 C ATOM 203 SG CYS A 14 -22.576 -2.124 -4.668 1.00 0.00 S ATOM 0 H CYS A 14 -21.575 -4.201 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.726 -4.215 -5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.486 -2.098 -3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.264 -1.823 -5.214 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.134 -2.099 -3.494 1.00 0.00 H new ATOM 209 N ALA A 15 -18.397 -4.076 -3.330 1.00 0.00 N ATOM 210 CA ALA A 15 -16.978 -4.273 -3.083 1.00 0.00 C ATOM 211 C ALA A 15 -16.604 -5.735 -3.295 1.00 0.00 C ATOM 212 O ALA A 15 -15.465 -6.053 -3.632 1.00 0.00 O ATOM 213 CB ALA A 15 -16.620 -3.831 -1.674 1.00 0.00 C ATOM 0 H ALA A 15 -18.960 -3.957 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.413 -3.664 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.554 -3.985 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.858 -2.774 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.190 -4.417 -0.953 1.00 0.00 H new ATOM 219 N ALA A 16 -17.583 -6.616 -3.125 1.00 0.00 N ATOM 220 CA ALA A 16 -17.348 -8.049 -3.246 1.00 0.00 C ATOM 221 C ALA A 16 -17.157 -8.429 -4.705 1.00 0.00 C ATOM 222 O ALA A 16 -16.231 -9.161 -5.052 1.00 0.00 O ATOM 223 CB ALA A 16 -18.500 -8.835 -2.642 1.00 0.00 C ATOM 0 H ALA A 16 -18.546 -6.363 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.439 -8.296 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.304 -9.903 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.599 -8.582 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.424 -8.585 -3.163 1.00 0.00 H new ATOM 229 N HIS A 17 -18.035 -7.915 -5.557 1.00 0.00 N ATOM 230 CA HIS A 17 -17.949 -8.170 -6.988 1.00 0.00 C ATOM 231 C HIS A 17 -16.675 -7.571 -7.563 1.00 0.00 C ATOM 232 O HIS A 17 -16.031 -8.167 -8.430 1.00 0.00 O ATOM 233 CB HIS A 17 -19.167 -7.592 -7.708 1.00 0.00 C ATOM 234 CG HIS A 17 -19.899 -8.603 -8.536 1.00 0.00 C ATOM 235 ND1 HIS A 17 -21.250 -8.839 -8.418 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.454 -9.453 -9.492 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.605 -9.789 -9.261 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.534 -10.180 -9.927 1.00 0.00 N ATOM 0 H HIS A 17 -18.815 -7.319 -5.281 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.928 -9.249 -7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.851 -7.172 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.846 -6.771 -8.349 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.438 -9.542 -9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.604 -10.181 -9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.513 -10.903 -10.646 1.00 0.00 H new ATOM 247 N VAL A 18 -16.308 -6.395 -7.072 1.00 0.00 N ATOM 248 CA VAL A 18 -15.076 -5.749 -7.497 1.00 0.00 C ATOM 249 C VAL A 18 -13.871 -6.564 -7.036 1.00 0.00 C ATOM 250 O VAL A 18 -12.934 -6.782 -7.802 1.00 0.00 O ATOM 251 CB VAL A 18 -14.985 -4.301 -6.964 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.556 -3.775 -7.007 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.909 -3.394 -7.761 1.00 0.00 C ATOM 0 H VAL A 18 -16.845 -5.871 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.078 -5.701 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.301 -4.307 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.532 -2.755 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.917 -4.408 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.195 -3.785 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.838 -2.376 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.616 -3.408 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.936 -3.747 -7.666 1.00 0.00 H new ATOM 263 N LYS A 19 -13.911 -7.031 -5.790 1.00 0.00 N ATOM 264 CA LYS A 19 -12.853 -7.884 -5.263 1.00 0.00 C ATOM 265 C LYS A 19 -12.733 -9.158 -6.094 1.00 0.00 C ATOM 266 O LYS A 19 -11.631 -9.614 -6.393 1.00 0.00 O ATOM 267 CB LYS A 19 -13.127 -8.235 -3.797 1.00 0.00 C ATOM 268 CG LYS A 19 -12.116 -9.204 -3.203 1.00 0.00 C ATOM 269 CD LYS A 19 -12.780 -10.223 -2.292 1.00 0.00 C ATOM 270 CE LYS A 19 -13.713 -11.139 -3.065 1.00 0.00 C ATOM 271 NZ LYS A 19 -13.157 -12.509 -3.208 1.00 0.00 N ATOM 0 H LYS A 19 -14.663 -6.833 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.911 -7.338 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.129 -7.318 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.124 -8.668 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.593 -9.722 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.366 -8.648 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.016 -10.818 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.340 -9.705 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.675 -11.190 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.898 -10.718 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.284 -12.835 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.143 -12.498 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.654 -13.155 -2.562 1.00 0.00 H new ATOM 285 N GLU A 20 -13.873 -9.720 -6.469 1.00 0.00 N ATOM 286 CA GLU A 20 -13.897 -10.915 -7.298 1.00 0.00 C ATOM 287 C GLU A 20 -13.284 -10.632 -8.660 1.00 0.00 C ATOM 288 O GLU A 20 -12.462 -11.403 -9.153 1.00 0.00 O ATOM 289 CB GLU A 20 -15.334 -11.421 -7.460 1.00 0.00 C ATOM 290 CG GLU A 20 -15.508 -12.891 -7.115 1.00 0.00 C ATOM 291 CD GLU A 20 -15.136 -13.207 -5.681 1.00 0.00 C ATOM 292 OE1 GLU A 20 -15.941 -12.920 -4.776 1.00 0.00 O ATOM 293 OE2 GLU A 20 -14.034 -13.746 -5.452 1.00 0.00 O ATOM 0 H GLU A 20 -14.795 -9.367 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.306 -11.687 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.992 -10.828 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.653 -11.259 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.545 -13.180 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.893 -13.492 -7.785 1.00 0.00 H new ATOM 300 N ALA A 21 -13.659 -9.506 -9.244 1.00 0.00 N ATOM 301 CA ALA A 21 -13.138 -9.116 -10.546 1.00 0.00 C ATOM 302 C ALA A 21 -11.640 -8.881 -10.461 1.00 0.00 C ATOM 303 O ALA A 21 -10.898 -9.167 -11.401 1.00 0.00 O ATOM 304 CB ALA A 21 -13.850 -7.872 -11.052 1.00 0.00 C ATOM 0 H ALA A 21 -14.322 -8.845 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.321 -9.924 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.448 -7.594 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.917 -8.075 -11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.696 -7.053 -10.349 1.00 0.00 H new ATOM 310 N LEU A 22 -11.204 -8.356 -9.325 1.00 0.00 N ATOM 311 CA LEU A 22 -9.791 -8.140 -9.071 1.00 0.00 C ATOM 312 C LEU A 22 -9.071 -9.471 -8.948 1.00 0.00 C ATOM 313 O LEU A 22 -8.051 -9.699 -9.591 1.00 0.00 O ATOM 314 CB LEU A 22 -9.592 -7.316 -7.796 1.00 0.00 C ATOM 315 CG LEU A 22 -9.681 -5.799 -7.975 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.974 -5.123 -6.645 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.391 -5.258 -8.572 1.00 0.00 C ATOM 0 H LEU A 22 -11.816 -8.070 -8.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.371 -7.586 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.340 -7.623 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.616 -7.559 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.499 -5.580 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.034 -4.044 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.922 -5.489 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.176 -5.350 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.471 -4.178 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.558 -5.488 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.218 -5.720 -9.544 1.00 0.00 H new ATOM 329 N GLU A 23 -9.633 -10.360 -8.139 1.00 0.00 N ATOM 330 CA GLU A 23 -9.013 -11.647 -7.862 1.00 0.00 C ATOM 331 C GLU A 23 -9.130 -12.587 -9.056 1.00 0.00 C ATOM 332 O GLU A 23 -8.486 -13.637 -9.103 1.00 0.00 O ATOM 333 CB GLU A 23 -9.637 -12.276 -6.624 1.00 0.00 C ATOM 334 CG GLU A 23 -9.106 -11.683 -5.333 1.00 0.00 C ATOM 335 CD GLU A 23 -9.449 -12.516 -4.119 1.00 0.00 C ATOM 336 OE1 GLU A 23 -10.650 -12.777 -3.897 1.00 0.00 O ATOM 337 OE2 GLU A 23 -8.525 -12.914 -3.384 1.00 0.00 O ATOM 0 H GLU A 23 -10.522 -10.211 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.952 -11.478 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.718 -12.145 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.446 -13.349 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.023 -11.582 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.512 -10.680 -5.206 1.00 0.00 H new ATOM 344 N LYS A 24 -9.952 -12.200 -10.025 1.00 0.00 N ATOM 345 CA LYS A 24 -10.062 -12.943 -11.272 1.00 0.00 C ATOM 346 C LYS A 24 -8.823 -12.695 -12.122 1.00 0.00 C ATOM 347 O LYS A 24 -8.528 -13.443 -13.054 1.00 0.00 O ATOM 348 CB LYS A 24 -11.323 -12.532 -12.038 1.00 0.00 C ATOM 349 CG LYS A 24 -12.373 -13.630 -12.127 1.00 0.00 C ATOM 350 CD LYS A 24 -12.789 -14.118 -10.749 1.00 0.00 C ATOM 351 CE LYS A 24 -14.168 -14.761 -10.771 1.00 0.00 C ATOM 352 NZ LYS A 24 -14.207 -16.008 -9.960 1.00 0.00 N ATOM 0 H LYS A 24 -10.551 -11.376 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.136 -14.006 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.763 -11.660 -11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.042 -12.229 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.247 -13.256 -12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.979 -14.465 -12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.058 -14.838 -10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.789 -13.281 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.905 -14.055 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.448 -14.987 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.162 -16.418 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.522 -16.691 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.965 -15.788 -8.973 1.00 0.00 H new ATOM 366 N VAL A 25 -8.112 -11.624 -11.794 1.00 0.00 N ATOM 367 CA VAL A 25 -6.828 -11.333 -12.402 1.00 0.00 C ATOM 368 C VAL A 25 -5.728 -12.081 -11.647 1.00 0.00 C ATOM 369 O VAL A 25 -5.547 -11.876 -10.445 1.00 0.00 O ATOM 370 CB VAL A 25 -6.546 -9.814 -12.386 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.121 -9.511 -12.823 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.544 -9.082 -13.271 1.00 0.00 C ATOM 0 H VAL A 25 -8.411 -10.937 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.846 -11.663 -13.441 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.661 -9.461 -11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.955 -8.434 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.421 -10.000 -12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.965 -9.881 -13.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.333 -8.013 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.460 -9.448 -14.294 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.555 -9.260 -12.904 1.00 0.00 H new ATOM 382 N PRO A 26 -4.985 -12.961 -12.338 1.00 0.00 N ATOM 383 CA PRO A 26 -3.952 -13.808 -11.713 1.00 0.00 C ATOM 384 C PRO A 26 -2.819 -13.005 -11.073 1.00 0.00 C ATOM 385 O PRO A 26 -2.116 -13.499 -10.192 1.00 0.00 O ATOM 386 CB PRO A 26 -3.420 -14.650 -12.875 1.00 0.00 C ATOM 387 CG PRO A 26 -3.794 -13.897 -14.104 1.00 0.00 C ATOM 388 CD PRO A 26 -5.088 -13.205 -13.786 1.00 0.00 C ATOM 0 HA PRO A 26 -4.368 -14.396 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.340 -14.780 -12.806 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.861 -15.647 -12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.021 -13.176 -14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.910 -14.570 -14.954 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.197 -12.276 -14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.949 -13.827 -14.030 1.00 0.00 H new ATOM 396 N GLY A 27 -2.649 -11.767 -11.519 1.00 0.00 N ATOM 397 CA GLY A 27 -1.615 -10.913 -10.966 1.00 0.00 C ATOM 398 C GLY A 27 -1.936 -10.457 -9.554 1.00 0.00 C ATOM 399 O GLY A 27 -1.048 -10.043 -8.809 1.00 0.00 O ATOM 0 H GLY A 27 -3.210 -11.338 -12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.666 -11.450 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.487 -10.040 -11.607 1.00 0.00 H new ATOM 403 N VAL A 28 -3.205 -10.547 -9.181 1.00 0.00 N ATOM 404 CA VAL A 28 -3.644 -10.133 -7.860 1.00 0.00 C ATOM 405 C VAL A 28 -3.509 -11.284 -6.868 1.00 0.00 C ATOM 406 O VAL A 28 -4.029 -12.379 -7.090 1.00 0.00 O ATOM 407 CB VAL A 28 -5.106 -9.641 -7.895 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.598 -9.274 -6.501 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.245 -8.455 -8.840 1.00 0.00 C ATOM 0 H VAL A 28 -3.950 -10.905 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.007 -9.309 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.727 -10.457 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.631 -8.931 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.542 -10.149 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.974 -8.479 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.282 -8.120 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.605 -7.641 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.947 -8.754 -9.845 1.00 0.00 H new ATOM 419 N GLN A 29 -2.791 -11.038 -5.781 1.00 0.00 N ATOM 420 CA GLN A 29 -2.587 -12.052 -4.757 1.00 0.00 C ATOM 421 C GLN A 29 -3.645 -11.932 -3.669 1.00 0.00 C ATOM 422 O GLN A 29 -4.083 -12.929 -3.096 1.00 0.00 O ATOM 423 CB GLN A 29 -1.191 -11.920 -4.146 1.00 0.00 C ATOM 424 CG GLN A 29 -0.068 -12.228 -5.126 1.00 0.00 C ATOM 425 CD GLN A 29 -0.206 -13.599 -5.764 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.010 -14.623 -5.112 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.542 -13.628 -7.044 1.00 0.00 N ATOM 0 H GLN A 29 -2.340 -10.144 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.675 -13.033 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.064 -10.906 -3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.112 -12.592 -3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.055 -11.468 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.888 -12.168 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.696 -12.756 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.647 -14.522 -7.524 1.00 0.00 H new ATOM 436 N SER A 30 -4.053 -10.705 -3.392 1.00 0.00 N ATOM 437 CA SER A 30 -5.075 -10.441 -2.390 1.00 0.00 C ATOM 438 C SER A 30 -5.782 -9.133 -2.715 1.00 0.00 C ATOM 439 O SER A 30 -5.201 -8.252 -3.350 1.00 0.00 O ATOM 440 CB SER A 30 -4.461 -10.363 -0.987 1.00 0.00 C ATOM 441 OG SER A 30 -3.276 -11.139 -0.887 1.00 0.00 O ATOM 0 H SER A 30 -3.690 -9.869 -3.850 1.00 0.00 H new ATOM 0 HA SER A 30 -5.793 -11.261 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.237 -9.324 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.187 -10.712 -0.252 1.00 0.00 H new ATOM 0 HG SER A 30 -2.912 -11.064 0.020 1.00 0.00 H new ATOM 447 N ALA A 31 -7.032 -9.016 -2.293 1.00 0.00 N ATOM 448 CA ALA A 31 -7.806 -7.806 -2.521 1.00 0.00 C ATOM 449 C ALA A 31 -8.730 -7.536 -1.341 1.00 0.00 C ATOM 450 O ALA A 31 -9.917 -7.852 -1.380 1.00 0.00 O ATOM 451 CB ALA A 31 -8.605 -7.917 -3.814 1.00 0.00 C ATOM 0 H ALA A 31 -7.533 -9.748 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.116 -6.968 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.178 -7.002 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.923 -8.063 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.287 -8.765 -3.749 1.00 0.00 H new ATOM 457 N LEU A 32 -8.179 -6.945 -0.291 1.00 0.00 N ATOM 458 CA LEU A 32 -8.950 -6.665 0.911 1.00 0.00 C ATOM 459 C LEU A 32 -9.746 -5.375 0.747 1.00 0.00 C ATOM 460 O LEU A 32 -9.445 -4.352 1.368 1.00 0.00 O ATOM 461 CB LEU A 32 -8.028 -6.572 2.130 1.00 0.00 C ATOM 462 CG LEU A 32 -7.590 -7.915 2.717 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.089 -8.101 2.568 1.00 0.00 C ATOM 464 CD2 LEU A 32 -8.000 -8.019 4.179 1.00 0.00 C ATOM 0 H LEU A 32 -7.203 -6.651 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.650 -7.485 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.138 -6.008 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.536 -6.002 2.908 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.090 -8.710 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.798 -9.062 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.822 -8.074 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.569 -7.300 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.680 -8.981 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.530 -7.216 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.084 -7.935 4.260 1.00 0.00 H new ATOM 476 N VAL A 33 -10.751 -5.424 -0.113 1.00 0.00 N ATOM 477 CA VAL A 33 -11.620 -4.281 -0.334 1.00 0.00 C ATOM 478 C VAL A 33 -12.531 -4.092 0.865 1.00 0.00 C ATOM 479 O VAL A 33 -13.337 -4.963 1.193 1.00 0.00 O ATOM 480 CB VAL A 33 -12.476 -4.434 -1.608 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.060 -3.092 -2.024 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.656 -5.032 -2.741 1.00 0.00 C ATOM 0 H VAL A 33 -10.985 -6.246 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.981 -3.408 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.298 -5.115 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.661 -3.220 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.687 -2.704 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.251 -2.390 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.280 -5.131 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.811 -4.380 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.288 -6.015 -2.445 1.00 0.00 H new ATOM 492 N SER A 34 -12.403 -2.955 1.518 1.00 0.00 N ATOM 493 CA SER A 34 -13.141 -2.697 2.736 1.00 0.00 C ATOM 494 C SER A 34 -14.383 -1.855 2.457 1.00 0.00 C ATOM 495 O SER A 34 -14.286 -0.677 2.082 1.00 0.00 O ATOM 496 CB SER A 34 -12.236 -2.012 3.758 1.00 0.00 C ATOM 497 OG SER A 34 -10.965 -2.644 3.805 1.00 0.00 O ATOM 0 H SER A 34 -11.792 -2.193 1.224 1.00 0.00 H new ATOM 0 HA SER A 34 -13.475 -3.649 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.116 -0.960 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.701 -2.045 4.743 1.00 0.00 H new ATOM 0 HG SER A 34 -10.868 -3.121 4.656 1.00 0.00 H new ATOM 503 N TYR A 35 -15.542 -2.486 2.636 1.00 0.00 N ATOM 504 CA TYR A 35 -16.842 -1.845 2.462 1.00 0.00 C ATOM 505 C TYR A 35 -17.031 -0.644 3.413 1.00 0.00 C ATOM 506 O TYR A 35 -17.499 0.403 2.972 1.00 0.00 O ATOM 507 CB TYR A 35 -17.966 -2.899 2.607 1.00 0.00 C ATOM 508 CG TYR A 35 -18.977 -2.669 3.718 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.925 -1.657 3.634 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.984 -3.477 4.847 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.853 -1.461 4.638 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.908 -3.288 5.856 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.836 -2.275 5.749 1.00 0.00 C ATOM 514 OH TYR A 35 -21.757 -2.083 6.752 1.00 0.00 O ATOM 0 H TYR A 35 -15.604 -3.467 2.909 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.893 -1.430 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.506 -2.953 1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.502 -3.872 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.937 -1.012 2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.254 -4.268 4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.588 -0.674 4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.903 -3.931 6.724 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.609 -2.741 7.463 1.00 0.00 H new ATOM 524 N PRO A 36 -16.669 -0.744 4.721 1.00 0.00 N ATOM 525 CA PRO A 36 -16.847 0.373 5.658 1.00 0.00 C ATOM 526 C PRO A 36 -15.848 1.501 5.414 1.00 0.00 C ATOM 527 O PRO A 36 -15.955 2.583 5.994 1.00 0.00 O ATOM 528 CB PRO A 36 -16.609 -0.250 7.043 1.00 0.00 C ATOM 529 CG PRO A 36 -16.529 -1.724 6.822 1.00 0.00 C ATOM 530 CD PRO A 36 -16.085 -1.913 5.402 1.00 0.00 C ATOM 0 HA PRO A 36 -17.833 0.825 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.689 0.128 7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.420 -0.001 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.823 -2.183 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.497 -2.196 6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.998 -1.930 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.453 -2.850 4.984 1.00 0.00 H new ATOM 538 N LYS A 37 -14.879 1.245 4.548 1.00 0.00 N ATOM 539 CA LYS A 37 -13.841 2.216 4.257 1.00 0.00 C ATOM 540 C LYS A 37 -14.075 2.859 2.895 1.00 0.00 C ATOM 541 O LYS A 37 -13.804 4.043 2.699 1.00 0.00 O ATOM 542 CB LYS A 37 -12.474 1.535 4.276 1.00 0.00 C ATOM 543 CG LYS A 37 -11.486 2.163 5.241 1.00 0.00 C ATOM 544 CD LYS A 37 -10.695 1.103 5.989 1.00 0.00 C ATOM 545 CE LYS A 37 -9.972 1.690 7.188 1.00 0.00 C ATOM 546 NZ LYS A 37 -10.838 1.718 8.394 1.00 0.00 N ATOM 0 H LYS A 37 -14.792 0.368 4.034 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.870 2.994 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.606 0.485 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.052 1.562 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.802 2.812 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.020 2.792 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.368 0.312 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.971 0.645 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.077 1.103 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.642 2.702 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.309 2.125 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.680 2.299 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.133 0.749 8.632 1.00 0.00 H new ATOM 560 N GLY A 38 -14.591 2.068 1.964 1.00 0.00 N ATOM 561 CA GLY A 38 -14.739 2.527 0.598 1.00 0.00 C ATOM 562 C GLY A 38 -13.428 2.421 -0.150 1.00 0.00 C ATOM 563 O GLY A 38 -13.229 3.061 -1.182 1.00 0.00 O ATOM 0 H GLY A 38 -14.910 1.114 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.501 1.935 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.083 3.561 0.592 1.00 0.00 H new ATOM 567 N THR A 39 -12.529 1.597 0.379 1.00 0.00 N ATOM 568 CA THR A 39 -11.182 1.489 -0.169 1.00 0.00 C ATOM 569 C THR A 39 -10.792 0.029 -0.368 1.00 0.00 C ATOM 570 O THR A 39 -11.382 -0.865 0.237 1.00 0.00 O ATOM 571 CB THR A 39 -10.151 2.179 0.750 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.812 2.764 1.882 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.395 3.264 -0.001 1.00 0.00 C ATOM 0 H THR A 39 -12.708 0.996 1.184 1.00 0.00 H new ATOM 0 HA THR A 39 -11.182 1.992 -1.136 1.00 0.00 H new ATOM 0 HB THR A 39 -9.443 1.422 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.150 3.198 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.675 3.735 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.869 2.822 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.099 4.014 -0.363 1.00 0.00 H new ATOM 581 N ALA A 40 -9.808 -0.211 -1.220 1.00 0.00 N ATOM 582 CA ALA A 40 -9.367 -1.564 -1.506 1.00 0.00 C ATOM 583 C ALA A 40 -7.909 -1.754 -1.118 1.00 0.00 C ATOM 584 O ALA A 40 -7.021 -1.076 -1.642 1.00 0.00 O ATOM 585 CB ALA A 40 -9.574 -1.884 -2.979 1.00 0.00 C ATOM 0 H ALA A 40 -9.300 0.515 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.966 -2.253 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.239 -2.902 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.632 -1.794 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.999 -1.186 -3.587 1.00 0.00 H new ATOM 591 N GLN A 41 -7.668 -2.665 -0.191 1.00 0.00 N ATOM 592 CA GLN A 41 -6.316 -3.009 0.210 1.00 0.00 C ATOM 593 C GLN A 41 -5.859 -4.238 -0.564 1.00 0.00 C ATOM 594 O GLN A 41 -5.777 -5.341 -0.025 1.00 0.00 O ATOM 595 CB GLN A 41 -6.248 -3.270 1.717 1.00 0.00 C ATOM 596 CG GLN A 41 -6.312 -2.007 2.560 1.00 0.00 C ATOM 597 CD GLN A 41 -7.724 -1.670 2.989 1.00 0.00 C ATOM 598 OE1 GLN A 41 -8.405 -0.867 2.355 1.00 0.00 O ATOM 599 NE2 GLN A 41 -8.176 -2.289 4.066 1.00 0.00 N ATOM 0 H GLN A 41 -8.397 -3.182 0.301 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.654 -2.173 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.070 -3.927 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.323 -3.801 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.687 -2.132 3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.899 -1.173 1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.578 -2.949 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.123 -2.107 4.399 1.00 0.00 H new ATOM 608 N LEU A 42 -5.597 -4.041 -1.844 1.00 0.00 N ATOM 609 CA LEU A 42 -5.203 -5.133 -2.717 1.00 0.00 C ATOM 610 C LEU A 42 -3.685 -5.265 -2.772 1.00 0.00 C ATOM 611 O LEU A 42 -2.959 -4.351 -2.395 1.00 0.00 O ATOM 612 CB LEU A 42 -5.824 -4.974 -4.129 1.00 0.00 C ATOM 613 CG LEU A 42 -5.259 -3.887 -5.077 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.940 -2.585 -4.355 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.035 -4.401 -5.824 1.00 0.00 C ATOM 0 H LEU A 42 -5.650 -3.132 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.594 -6.061 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.735 -5.934 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.889 -4.778 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.045 -3.664 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.548 -1.860 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.848 -2.190 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.196 -2.771 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.656 -3.620 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.261 -4.678 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.310 -5.274 -6.416 1.00 0.00 H new ATOM 627 N ALA A 43 -3.223 -6.418 -3.215 1.00 0.00 N ATOM 628 CA ALA A 43 -1.804 -6.672 -3.369 1.00 0.00 C ATOM 629 C ALA A 43 -1.558 -7.465 -4.642 1.00 0.00 C ATOM 630 O ALA A 43 -2.135 -8.536 -4.837 1.00 0.00 O ATOM 631 CB ALA A 43 -1.260 -7.417 -2.159 1.00 0.00 C ATOM 0 H ALA A 43 -3.819 -7.203 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.280 -5.719 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.194 -7.599 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.416 -6.818 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.780 -8.369 -2.054 1.00 0.00 H new ATOM 637 N ILE A 44 -0.715 -6.931 -5.508 1.00 0.00 N ATOM 638 CA ILE A 44 -0.432 -7.560 -6.789 1.00 0.00 C ATOM 639 C ILE A 44 1.012 -8.030 -6.850 1.00 0.00 C ATOM 640 O ILE A 44 1.821 -7.693 -5.985 1.00 0.00 O ATOM 641 CB ILE A 44 -0.687 -6.598 -7.970 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.376 -5.152 -7.569 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.123 -6.718 -8.452 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.972 -4.663 -8.051 1.00 0.00 C ATOM 0 H ILE A 44 -0.211 -6.059 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.106 -8.412 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.022 -6.877 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.153 -4.499 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.415 -5.069 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.286 -6.033 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.312 -7.740 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.802 -6.467 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.121 -3.632 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.758 -5.291 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.009 -4.712 -9.139 1.00 0.00 H new ATOM 656 N VAL A 45 1.325 -8.818 -7.866 1.00 0.00 N ATOM 657 CA VAL A 45 2.697 -9.221 -8.117 1.00 0.00 C ATOM 658 C VAL A 45 3.397 -8.135 -8.924 1.00 0.00 C ATOM 659 O VAL A 45 2.855 -7.669 -9.925 1.00 0.00 O ATOM 660 CB VAL A 45 2.771 -10.557 -8.892 1.00 0.00 C ATOM 661 CG1 VAL A 45 4.198 -11.079 -8.941 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.848 -11.592 -8.272 1.00 0.00 C ATOM 0 H VAL A 45 0.646 -9.191 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 45 3.188 -9.363 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 45 2.441 -10.370 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.223 -12.019 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.835 -10.349 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.560 -11.243 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.917 -12.524 -8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.143 -11.769 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.821 -11.227 -8.299 1.00 0.00 H new ATOM 672 N PRO A 46 4.589 -7.693 -8.476 1.00 0.00 N ATOM 673 CA PRO A 46 5.389 -6.695 -9.195 1.00 0.00 C ATOM 674 C PRO A 46 5.463 -6.988 -10.690 1.00 0.00 C ATOM 675 O PRO A 46 6.144 -7.918 -11.122 1.00 0.00 O ATOM 676 CB PRO A 46 6.764 -6.826 -8.546 1.00 0.00 C ATOM 677 CG PRO A 46 6.473 -7.256 -7.151 1.00 0.00 C ATOM 678 CD PRO A 46 5.244 -8.122 -7.225 1.00 0.00 C ATOM 0 HA PRO A 46 4.966 -5.693 -9.127 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.382 -7.558 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.305 -5.880 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.313 -7.808 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.303 -6.394 -6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.501 -9.181 -7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.596 -7.972 -6.362 1.00 0.00 H new ATOM 686 N GLY A 47 4.745 -6.192 -11.464 1.00 0.00 N ATOM 687 CA GLY A 47 4.625 -6.430 -12.884 1.00 0.00 C ATOM 688 C GLY A 47 3.207 -6.189 -13.346 1.00 0.00 C ATOM 689 O GLY A 47 2.973 -5.673 -14.440 1.00 0.00 O ATOM 0 H GLY A 47 4.237 -5.374 -11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.306 -5.775 -13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.918 -7.455 -13.112 1.00 0.00 H new ATOM 693 N THR A 48 2.254 -6.572 -12.509 1.00 0.00 N ATOM 694 CA THR A 48 0.858 -6.275 -12.759 1.00 0.00 C ATOM 695 C THR A 48 0.577 -4.817 -12.447 1.00 0.00 C ATOM 696 O THR A 48 0.764 -4.360 -11.320 1.00 0.00 O ATOM 697 CB THR A 48 -0.071 -7.180 -11.932 1.00 0.00 C ATOM 698 OG1 THR A 48 0.543 -8.465 -11.764 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.424 -7.344 -12.613 1.00 0.00 C ATOM 0 H THR A 48 2.427 -7.091 -11.648 1.00 0.00 H new ATOM 0 HA THR A 48 0.657 -6.468 -13.813 1.00 0.00 H new ATOM 0 HB THR A 48 -0.232 -6.714 -10.960 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.254 -8.857 -10.914 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.061 -7.988 -12.007 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.896 -6.368 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.284 -7.793 -13.596 1.00 0.00 H new ATOM 707 N SER A 49 0.151 -4.087 -13.455 1.00 0.00 N ATOM 708 CA SER A 49 -0.039 -2.660 -13.329 1.00 0.00 C ATOM 709 C SER A 49 -1.419 -2.329 -12.758 1.00 0.00 C ATOM 710 O SER A 49 -2.444 -2.740 -13.302 1.00 0.00 O ATOM 711 CB SER A 49 0.168 -2.004 -14.691 1.00 0.00 C ATOM 712 OG SER A 49 0.998 -2.816 -15.512 1.00 0.00 O ATOM 0 H SER A 49 -0.071 -4.463 -14.377 1.00 0.00 H new ATOM 0 HA SER A 49 0.696 -2.265 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.795 -1.849 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.622 -1.021 -14.563 1.00 0.00 H new ATOM 0 HG SER A 49 1.120 -2.383 -16.383 1.00 0.00 H new ATOM 718 N PRO A 50 -1.461 -1.573 -11.646 1.00 0.00 N ATOM 719 CA PRO A 50 -2.716 -1.190 -10.981 1.00 0.00 C ATOM 720 C PRO A 50 -3.570 -0.257 -11.827 1.00 0.00 C ATOM 721 O PRO A 50 -4.734 0.002 -11.513 1.00 0.00 O ATOM 722 CB PRO A 50 -2.254 -0.473 -9.705 1.00 0.00 C ATOM 723 CG PRO A 50 -0.823 -0.857 -9.535 1.00 0.00 C ATOM 724 CD PRO A 50 -0.290 -1.053 -10.923 1.00 0.00 C ATOM 0 HA PRO A 50 -3.345 -2.060 -10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.363 0.607 -9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.849 -0.779 -8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.269 -0.080 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.729 -1.770 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.071 -0.119 -11.354 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.543 -1.756 -10.942 1.00 0.00 H new ATOM 732 N ASP A 51 -2.996 0.220 -12.916 1.00 0.00 N ATOM 733 CA ASP A 51 -3.708 1.065 -13.851 1.00 0.00 C ATOM 734 C ASP A 51 -4.714 0.207 -14.594 1.00 0.00 C ATOM 735 O ASP A 51 -5.780 0.668 -15.004 1.00 0.00 O ATOM 736 CB ASP A 51 -2.714 1.721 -14.815 1.00 0.00 C ATOM 737 CG ASP A 51 -3.302 2.037 -16.178 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.101 2.989 -16.274 1.00 0.00 O ATOM 739 OD2 ASP A 51 -2.994 1.319 -17.152 1.00 0.00 O ATOM 0 H ASP A 51 -2.027 0.033 -13.175 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.236 1.863 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.342 2.643 -14.367 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.857 1.060 -14.944 1.00 0.00 H new ATOM 744 N ALA A 52 -4.379 -1.072 -14.699 1.00 0.00 N ATOM 745 CA ALA A 52 -5.244 -2.035 -15.352 1.00 0.00 C ATOM 746 C ALA A 52 -6.408 -2.384 -14.447 1.00 0.00 C ATOM 747 O ALA A 52 -7.525 -2.592 -14.909 1.00 0.00 O ATOM 748 CB ALA A 52 -4.473 -3.287 -15.737 1.00 0.00 C ATOM 0 H ALA A 52 -3.510 -1.464 -14.337 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.631 -1.586 -16.267 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.145 -3.993 -16.225 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.667 -3.022 -16.421 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.053 -3.746 -14.842 1.00 0.00 H new ATOM 754 N LEU A 53 -6.134 -2.424 -13.150 1.00 0.00 N ATOM 755 CA LEU A 53 -7.162 -2.699 -12.160 1.00 0.00 C ATOM 756 C LEU A 53 -8.116 -1.520 -12.073 1.00 0.00 C ATOM 757 O LEU A 53 -9.334 -1.691 -12.023 1.00 0.00 O ATOM 758 CB LEU A 53 -6.525 -2.970 -10.796 1.00 0.00 C ATOM 759 CG LEU A 53 -5.293 -3.875 -10.823 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.604 -3.880 -9.468 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.673 -5.289 -11.237 1.00 0.00 C ATOM 0 H LEU A 53 -5.205 -2.269 -12.760 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.720 -3.586 -12.461 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.246 -2.017 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.274 -3.422 -10.146 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.595 -3.480 -11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.730 -4.530 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.292 -2.867 -9.215 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.295 -4.247 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.782 -5.916 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.393 -5.695 -10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.117 -5.270 -12.232 1.00 0.00 H new ATOM 773 N THR A 54 -7.551 -0.319 -12.075 1.00 0.00 N ATOM 774 CA THR A 54 -8.344 0.900 -12.109 1.00 0.00 C ATOM 775 C THR A 54 -9.258 0.901 -13.331 1.00 0.00 C ATOM 776 O THR A 54 -10.459 1.159 -13.226 1.00 0.00 O ATOM 777 CB THR A 54 -7.436 2.147 -12.138 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.490 2.082 -11.064 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.253 3.425 -12.020 1.00 0.00 C ATOM 0 H THR A 54 -6.543 -0.165 -12.053 1.00 0.00 H new ATOM 0 HA THR A 54 -8.951 0.933 -11.205 1.00 0.00 H new ATOM 0 HB THR A 54 -6.911 2.162 -13.093 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.784 1.441 -11.288 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.586 4.287 -12.043 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.955 3.486 -12.852 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.805 3.419 -11.080 1.00 0.00 H new ATOM 787 N ALA A 55 -8.683 0.585 -14.485 1.00 0.00 N ATOM 788 CA ALA A 55 -9.443 0.507 -15.722 1.00 0.00 C ATOM 789 C ALA A 55 -10.449 -0.637 -15.680 1.00 0.00 C ATOM 790 O ALA A 55 -11.522 -0.546 -16.270 1.00 0.00 O ATOM 791 CB ALA A 55 -8.505 0.348 -16.908 1.00 0.00 C ATOM 0 H ALA A 55 -7.689 0.378 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.000 1.437 -15.836 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.088 0.291 -17.828 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.832 1.204 -16.957 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.922 -0.565 -16.791 1.00 0.00 H new ATOM 797 N ALA A 56 -10.091 -1.714 -14.991 1.00 0.00 N ATOM 798 CA ALA A 56 -10.989 -2.855 -14.825 1.00 0.00 C ATOM 799 C ALA A 56 -12.235 -2.467 -14.034 1.00 0.00 C ATOM 800 O ALA A 56 -13.353 -2.819 -14.415 1.00 0.00 O ATOM 801 CB ALA A 56 -10.269 -4.009 -14.142 1.00 0.00 C ATOM 0 H ALA A 56 -9.184 -1.823 -14.537 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.304 -3.177 -15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.954 -4.849 -14.028 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.417 -4.316 -14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.919 -3.690 -13.160 1.00 0.00 H new ATOM 807 N VAL A 57 -12.043 -1.745 -12.936 1.00 0.00 N ATOM 808 CA VAL A 57 -13.165 -1.302 -12.117 1.00 0.00 C ATOM 809 C VAL A 57 -13.950 -0.192 -12.818 1.00 0.00 C ATOM 810 O VAL A 57 -15.182 -0.184 -12.794 1.00 0.00 O ATOM 811 CB VAL A 57 -12.709 -0.820 -10.727 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.905 -0.473 -9.851 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.839 -1.872 -10.049 1.00 0.00 C ATOM 0 H VAL A 57 -11.127 -1.455 -12.594 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.815 -2.166 -11.979 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.114 0.083 -10.864 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.556 -0.136 -8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.484 0.320 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.533 -1.355 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.528 -1.510 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.408 -2.794 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.958 -2.065 -10.661 1.00 0.00 H new ATOM 823 N ALA A 58 -13.240 0.738 -13.459 1.00 0.00 N ATOM 824 CA ALA A 58 -13.897 1.780 -14.242 1.00 0.00 C ATOM 825 C ALA A 58 -14.636 1.177 -15.436 1.00 0.00 C ATOM 826 O ALA A 58 -15.608 1.747 -15.936 1.00 0.00 O ATOM 827 CB ALA A 58 -12.883 2.814 -14.706 1.00 0.00 C ATOM 0 H ALA A 58 -12.221 0.790 -13.451 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.630 2.276 -13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.389 3.584 -15.288 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.406 3.270 -13.839 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.127 2.330 -15.324 1.00 0.00 H new ATOM 833 N GLY A 59 -14.180 0.010 -15.871 1.00 0.00 N ATOM 834 CA GLY A 59 -14.818 -0.687 -16.970 1.00 0.00 C ATOM 835 C GLY A 59 -15.892 -1.637 -16.484 1.00 0.00 C ATOM 836 O GLY A 59 -16.378 -2.485 -17.236 1.00 0.00 O ATOM 0 H GLY A 59 -13.371 -0.470 -15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.257 0.038 -17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.068 -1.243 -17.532 1.00 0.00 H new ATOM 840 N LEU A 60 -16.242 -1.514 -15.211 1.00 0.00 N ATOM 841 CA LEU A 60 -17.336 -2.277 -14.632 1.00 0.00 C ATOM 842 C LEU A 60 -18.571 -1.400 -14.526 1.00 0.00 C ATOM 843 O LEU A 60 -19.560 -1.760 -13.892 1.00 0.00 O ATOM 844 CB LEU A 60 -16.945 -2.804 -13.253 1.00 0.00 C ATOM 845 CG LEU A 60 -16.630 -4.296 -13.189 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.555 -4.565 -12.149 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.887 -5.100 -12.883 1.00 0.00 C ATOM 0 H LEU A 60 -15.778 -0.886 -14.555 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.555 -3.128 -15.277 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.073 -2.250 -12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.757 -2.591 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.255 -4.611 -14.163 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.341 -5.633 -12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.648 -4.022 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.904 -4.233 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.639 -6.161 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.295 -4.785 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.627 -4.930 -13.665 1.00 0.00 H new ATOM 859 N GLY A 61 -18.490 -0.236 -15.155 1.00 0.00 N ATOM 860 CA GLY A 61 -19.561 0.737 -15.081 1.00 0.00 C ATOM 861 C GLY A 61 -19.404 1.657 -13.888 1.00 0.00 C ATOM 862 O GLY A 61 -20.107 2.663 -13.765 1.00 0.00 O ATOM 0 H GLY A 61 -17.693 0.054 -15.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.578 1.329 -15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.518 0.220 -15.018 1.00 0.00 H new ATOM 866 N TYR A 62 -18.461 1.315 -13.021 1.00 0.00 N ATOM 867 CA TYR A 62 -18.219 2.063 -11.801 1.00 0.00 C ATOM 868 C TYR A 62 -17.015 2.978 -11.970 1.00 0.00 C ATOM 869 O TYR A 62 -16.556 3.208 -13.091 1.00 0.00 O ATOM 870 CB TYR A 62 -17.982 1.099 -10.640 1.00 0.00 C ATOM 871 CG TYR A 62 -19.118 0.126 -10.412 1.00 0.00 C ATOM 872 CD1 TYR A 62 -20.421 0.578 -10.248 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.886 -1.243 -10.360 1.00 0.00 C ATOM 874 CE1 TYR A 62 -21.460 -0.305 -10.030 1.00 0.00 C ATOM 875 CE2 TYR A 62 -19.922 -2.132 -10.141 1.00 0.00 C ATOM 876 CZ TYR A 62 -21.208 -1.659 -9.981 1.00 0.00 C ATOM 877 OH TYR A 62 -22.240 -2.541 -9.759 1.00 0.00 O ATOM 0 H TYR A 62 -17.845 0.512 -13.146 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.095 2.675 -11.586 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.067 0.537 -10.828 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.821 1.675 -9.729 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.625 1.638 -10.292 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.882 -1.618 -10.493 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -22.466 0.064 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.725 -3.193 -10.095 1.00 0.00 H new ATOM 0 HH TYR A 62 -21.892 -3.457 -9.755 1.00 0.00 H new ATOM 887 N LYS A 63 -16.496 3.495 -10.864 1.00 0.00 N ATOM 888 CA LYS A 63 -15.352 4.389 -10.916 1.00 0.00 C ATOM 889 C LYS A 63 -14.261 3.909 -9.974 1.00 0.00 C ATOM 890 O LYS A 63 -14.503 3.709 -8.783 1.00 0.00 O ATOM 891 CB LYS A 63 -15.761 5.821 -10.547 1.00 0.00 C ATOM 892 CG LYS A 63 -17.263 6.023 -10.405 1.00 0.00 C ATOM 893 CD LYS A 63 -17.597 7.424 -9.924 1.00 0.00 C ATOM 894 CE LYS A 63 -18.992 7.842 -10.356 1.00 0.00 C ATOM 895 NZ LYS A 63 -19.007 8.384 -11.741 1.00 0.00 N ATOM 0 H LYS A 63 -16.849 3.310 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.970 4.387 -11.937 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.278 6.095 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.384 6.503 -11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.747 5.842 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.664 5.292 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.524 7.464 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.866 8.130 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.663 6.985 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.374 8.596 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.977 8.657 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.387 9.217 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.667 7.657 -12.402 1.00 0.00 H new ATOM 909 N ALA A 64 -13.070 3.703 -10.507 1.00 0.00 N ATOM 910 CA ALA A 64 -11.933 3.332 -9.684 1.00 0.00 C ATOM 911 C ALA A 64 -10.949 4.485 -9.566 1.00 0.00 C ATOM 912 O ALA A 64 -10.803 5.290 -10.489 1.00 0.00 O ATOM 913 CB ALA A 64 -11.239 2.108 -10.254 1.00 0.00 C ATOM 0 H ALA A 64 -12.865 3.786 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.303 3.093 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.389 1.845 -9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.940 1.274 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.889 2.325 -11.263 1.00 0.00 H new ATOM 919 N THR A 65 -10.291 4.565 -8.423 1.00 0.00 N ATOM 920 CA THR A 65 -9.248 5.550 -8.196 1.00 0.00 C ATOM 921 C THR A 65 -8.106 4.899 -7.423 1.00 0.00 C ATOM 922 O THR A 65 -8.035 3.670 -7.354 1.00 0.00 O ATOM 923 CB THR A 65 -9.788 6.770 -7.424 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.124 6.509 -6.974 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.782 8.007 -8.305 1.00 0.00 C ATOM 0 H THR A 65 -10.464 3.950 -7.628 1.00 0.00 H new ATOM 0 HA THR A 65 -8.886 5.905 -9.161 1.00 0.00 H new ATOM 0 HB THR A 65 -9.141 6.948 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.462 7.287 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.167 8.857 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.763 8.218 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.412 7.835 -9.178 1.00 0.00 H new ATOM 933 N LEU A 66 -7.246 5.693 -6.796 1.00 0.00 N ATOM 934 CA LEU A 66 -6.096 5.140 -6.096 1.00 0.00 C ATOM 935 C LEU A 66 -5.696 6.028 -4.930 1.00 0.00 C ATOM 936 O LEU A 66 -5.431 7.219 -5.091 1.00 0.00 O ATOM 937 CB LEU A 66 -4.903 4.989 -7.049 1.00 0.00 C ATOM 938 CG LEU A 66 -4.979 3.806 -8.015 1.00 0.00 C ATOM 939 CD1 LEU A 66 -4.469 4.213 -9.391 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.187 2.626 -7.474 1.00 0.00 C ATOM 0 H LEU A 66 -7.322 6.709 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.380 4.158 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.807 5.906 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.995 4.892 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.021 3.501 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.529 3.361 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.080 5.028 -9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.433 4.542 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.252 1.793 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.143 2.915 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.597 2.323 -6.511 1.00 0.00 H new ATOM 952 N ALA A 67 -5.658 5.427 -3.754 1.00 0.00 N ATOM 953 CA ALA A 67 -5.261 6.122 -2.544 1.00 0.00 C ATOM 954 C ALA A 67 -4.099 5.383 -1.909 1.00 0.00 C ATOM 955 O ALA A 67 -4.153 4.992 -0.741 1.00 0.00 O ATOM 956 CB ALA A 67 -6.432 6.226 -1.577 1.00 0.00 C ATOM 0 H ALA A 67 -5.901 4.447 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.949 7.136 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.114 6.750 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.246 6.776 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.776 5.226 -1.313 1.00 0.00 H new