USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 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 3 HIS : no HD1:sc= -0.369 X(o=0.95,f=1.2) USER MOD Set 1.2: A 34 SER OG : rot -116:sc= 0.936 USER MOD Set 1.3: A 41 GLN : amide:sc= 0.385 K(o=0.95,f=-3.6) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0.015) USER MOD Set 2.2: A 62 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0.103 USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= -0.465 USER MOD Set 3.3: A 14 CYS SG : rot 165:sc= 0.254 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 9 MET CE :methyl -156:sc=-0.00433 (180deg=-0.401) USER MOD Single : A 13 SER OG : rot 180:sc= 0.166 USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.079) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.371 K(o=-0.37,f=-0.93) USER MOD Single : A 30 SER OG : rot 180:sc= -0.786 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00652 USER MOD Single : A 54 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= 0.935 (180deg=-0.0583!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -1.727 1.258 -1.257 1.00 0.00 N ATOM 35 CA HIS A 3 -2.625 2.218 -0.635 1.00 0.00 C ATOM 36 C HIS A 3 -2.802 3.441 -1.534 1.00 0.00 C ATOM 37 O HIS A 3 -2.006 4.377 -1.485 1.00 0.00 O ATOM 38 CB HIS A 3 -2.050 2.627 0.725 1.00 0.00 C ATOM 39 CG HIS A 3 -3.047 3.211 1.682 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.268 2.634 1.954 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.980 4.320 2.457 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.905 3.361 2.851 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.146 4.391 3.178 1.00 0.00 N ATOM 0 HA HIS A 3 -3.605 1.763 -0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.593 1.752 1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.254 3.354 0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.159 5.020 2.500 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.885 3.149 3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.386 5.117 3.853 1.00 0.00 H new ATOM 52 N LEU A 4 -3.834 3.429 -2.363 1.00 0.00 N ATOM 53 CA LEU A 4 -4.089 4.546 -3.264 1.00 0.00 C ATOM 54 C LEU A 4 -5.146 5.466 -2.674 1.00 0.00 C ATOM 55 O LEU A 4 -6.182 5.005 -2.190 1.00 0.00 O ATOM 56 CB LEU A 4 -4.528 4.046 -4.642 1.00 0.00 C ATOM 57 CG LEU A 4 -3.413 3.450 -5.502 1.00 0.00 C ATOM 58 CD1 LEU A 4 -3.309 1.950 -5.288 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.656 3.762 -6.967 1.00 0.00 C ATOM 0 H LEU A 4 -4.506 2.664 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.162 5.106 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.304 3.292 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.980 4.876 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.468 3.902 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.509 1.548 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.090 1.746 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.253 1.477 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.855 3.332 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.611 3.336 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.677 4.842 -7.110 1.00 0.00 H new ATOM 71 N LYS A 5 -4.876 6.758 -2.688 1.00 0.00 N ATOM 72 CA LYS A 5 -5.826 7.738 -2.189 1.00 0.00 C ATOM 73 C LYS A 5 -6.658 8.261 -3.350 1.00 0.00 C ATOM 74 O LYS A 5 -6.115 8.753 -4.335 1.00 0.00 O ATOM 75 CB LYS A 5 -5.078 8.881 -1.486 1.00 0.00 C ATOM 76 CG LYS A 5 -5.819 10.211 -1.472 1.00 0.00 C ATOM 77 CD LYS A 5 -4.854 11.377 -1.309 1.00 0.00 C ATOM 78 CE LYS A 5 -5.588 12.706 -1.221 1.00 0.00 C ATOM 79 NZ LYS A 5 -5.618 13.239 0.167 1.00 0.00 N ATOM 0 H LYS A 5 -4.005 7.155 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.492 7.274 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.872 8.584 -0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.115 9.022 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.381 10.327 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.543 10.218 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.256 11.231 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.163 11.398 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.105 13.430 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.609 12.580 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.128 14.145 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.102 12.561 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.645 13.384 0.504 1.00 0.00 H new ATOM 93 N ILE A 6 -7.970 8.150 -3.243 1.00 0.00 N ATOM 94 CA ILE A 6 -8.837 8.545 -4.336 1.00 0.00 C ATOM 95 C ILE A 6 -9.427 9.935 -4.069 1.00 0.00 C ATOM 96 O ILE A 6 -10.148 10.159 -3.097 1.00 0.00 O ATOM 97 CB ILE A 6 -9.922 7.467 -4.620 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.465 7.615 -6.051 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.040 7.476 -3.582 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.743 8.415 -6.168 1.00 0.00 C ATOM 0 H ILE A 6 -8.454 7.793 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.244 8.617 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.445 6.490 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.700 8.088 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.637 6.621 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.770 6.705 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.622 7.279 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.528 8.451 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.047 8.464 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.528 7.934 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.576 9.424 -5.791 1.00 0.00 H new ATOM 112 N THR A 7 -9.081 10.875 -4.935 1.00 0.00 N ATOM 113 CA THR A 7 -9.378 12.282 -4.709 1.00 0.00 C ATOM 114 C THR A 7 -10.668 12.707 -5.402 1.00 0.00 C ATOM 115 O THR A 7 -11.279 13.709 -5.036 1.00 0.00 O ATOM 116 CB THR A 7 -8.216 13.153 -5.216 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.224 12.316 -5.829 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.583 13.930 -4.074 1.00 0.00 C ATOM 0 H THR A 7 -8.590 10.687 -5.809 1.00 0.00 H new ATOM 0 HA THR A 7 -9.508 12.421 -3.636 1.00 0.00 H new ATOM 0 HB THR A 7 -8.608 13.863 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.484 12.870 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.764 14.538 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.331 14.577 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.199 13.233 -3.329 1.00 0.00 H new ATOM 126 N GLY A 8 -11.081 11.936 -6.397 1.00 0.00 N ATOM 127 CA GLY A 8 -12.284 12.268 -7.142 1.00 0.00 C ATOM 128 C GLY A 8 -13.548 11.837 -6.426 1.00 0.00 C ATOM 129 O GLY A 8 -14.657 12.126 -6.877 1.00 0.00 O ATOM 0 H GLY A 8 -10.607 11.087 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.316 13.344 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.244 11.791 -8.121 1.00 0.00 H new ATOM 133 N MET A 9 -13.385 11.133 -5.317 1.00 0.00 N ATOM 134 CA MET A 9 -14.523 10.672 -4.537 1.00 0.00 C ATOM 135 C MET A 9 -14.967 11.743 -3.549 1.00 0.00 C ATOM 136 O MET A 9 -14.156 12.533 -3.066 1.00 0.00 O ATOM 137 CB MET A 9 -14.190 9.374 -3.790 1.00 0.00 C ATOM 138 CG MET A 9 -13.522 9.584 -2.437 1.00 0.00 C ATOM 139 SD MET A 9 -14.699 9.553 -1.070 1.00 0.00 S ATOM 140 CE MET A 9 -14.062 10.881 -0.051 1.00 0.00 C ATOM 0 H MET A 9 -12.476 10.868 -4.937 1.00 0.00 H new ATOM 0 HA MET A 9 -15.341 10.471 -5.229 1.00 0.00 H new ATOM 0 HB2 MET A 9 -15.109 8.806 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.536 8.766 -4.415 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.771 8.809 -2.283 1.00 0.00 H new ATOM 0 HG3 MET A 9 -12.998 10.540 -2.439 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.376 10.730 0.982 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.973 10.889 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.449 11.834 -0.412 1.00 0.00 H new ATOM 150 N THR A 10 -16.256 11.775 -3.266 1.00 0.00 N ATOM 151 CA THR A 10 -16.781 12.638 -2.229 1.00 0.00 C ATOM 152 C THR A 10 -17.612 11.831 -1.239 1.00 0.00 C ATOM 153 O THR A 10 -17.777 12.222 -0.084 1.00 0.00 O ATOM 154 CB THR A 10 -17.658 13.740 -2.834 1.00 0.00 C ATOM 155 OG1 THR A 10 -18.020 13.384 -4.175 1.00 0.00 O ATOM 156 CG2 THR A 10 -16.931 15.078 -2.827 1.00 0.00 C ATOM 0 H THR A 10 -16.959 11.211 -3.743 1.00 0.00 H new ATOM 0 HA THR A 10 -15.936 13.093 -1.713 1.00 0.00 H new ATOM 0 HB THR A 10 -18.559 13.840 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.582 14.088 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.574 15.844 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.682 15.352 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.016 14.998 -3.413 1.00 0.00 H new ATOM 164 N CYS A 11 -18.098 10.677 -1.699 1.00 0.00 N ATOM 165 CA CYS A 11 -19.043 9.869 -0.937 1.00 0.00 C ATOM 166 C CYS A 11 -19.493 8.648 -1.743 1.00 0.00 C ATOM 167 O CYS A 11 -19.396 8.644 -2.971 1.00 0.00 O ATOM 168 CB CYS A 11 -20.276 10.704 -0.559 1.00 0.00 C ATOM 169 SG CYS A 11 -20.778 11.921 -1.810 1.00 0.00 S ATOM 0 H CYS A 11 -17.848 10.281 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.538 9.531 -0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.112 10.030 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.072 11.226 0.376 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.826 12.567 -1.391 1.00 0.00 H new ATOM 174 N ASP A 12 -19.917 7.615 -1.008 1.00 0.00 N ATOM 175 CA ASP A 12 -20.579 6.401 -1.533 1.00 0.00 C ATOM 176 C ASP A 12 -20.329 6.095 -3.024 1.00 0.00 C ATOM 177 O ASP A 12 -19.340 5.445 -3.355 1.00 0.00 O ATOM 178 CB ASP A 12 -22.087 6.394 -1.190 1.00 0.00 C ATOM 179 CG ASP A 12 -22.905 7.501 -1.838 1.00 0.00 C ATOM 180 OD1 ASP A 12 -22.481 8.673 -1.814 1.00 0.00 O ATOM 181 OD2 ASP A 12 -23.991 7.197 -2.372 1.00 0.00 O ATOM 0 H ASP A 12 -19.808 7.594 0.006 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.091 5.577 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -22.506 5.433 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.197 6.469 -0.108 1.00 0.00 H new ATOM 186 N SER A 13 -21.213 6.572 -3.906 1.00 0.00 N ATOM 187 CA SER A 13 -21.226 6.168 -5.315 1.00 0.00 C ATOM 188 C SER A 13 -19.880 6.380 -5.999 1.00 0.00 C ATOM 189 O SER A 13 -19.419 5.526 -6.762 1.00 0.00 O ATOM 190 CB SER A 13 -22.310 6.943 -6.063 1.00 0.00 C ATOM 191 OG SER A 13 -23.041 7.774 -5.177 1.00 0.00 O ATOM 0 H SER A 13 -21.938 7.247 -3.664 1.00 0.00 H new ATOM 0 HA SER A 13 -21.437 5.099 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.854 7.550 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.987 6.245 -6.555 1.00 0.00 H new ATOM 0 HG SER A 13 -23.728 8.261 -5.678 1.00 0.00 H new ATOM 197 N CYS A 14 -19.248 7.510 -5.724 1.00 0.00 N ATOM 198 CA CYS A 14 -17.978 7.831 -6.353 1.00 0.00 C ATOM 199 C CYS A 14 -16.914 6.826 -5.921 1.00 0.00 C ATOM 200 O CYS A 14 -16.230 6.229 -6.755 1.00 0.00 O ATOM 201 CB CYS A 14 -17.559 9.259 -5.999 1.00 0.00 C ATOM 202 SG CYS A 14 -18.946 10.412 -5.822 1.00 0.00 S ATOM 0 H CYS A 14 -19.592 8.216 -5.073 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.089 7.769 -7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.994 9.240 -5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.887 9.632 -6.772 1.00 0.00 H new ATOM 0 HG CYS A 14 -18.538 11.493 -5.226 1.00 0.00 H new ATOM 207 N ALA A 15 -16.801 6.622 -4.614 1.00 0.00 N ATOM 208 CA ALA A 15 -15.869 5.647 -4.057 1.00 0.00 C ATOM 209 C ALA A 15 -16.415 4.223 -4.192 1.00 0.00 C ATOM 210 O ALA A 15 -16.363 3.434 -3.250 1.00 0.00 O ATOM 211 CB ALA A 15 -15.570 5.976 -2.605 1.00 0.00 C ATOM 0 H ALA A 15 -17.348 7.123 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.939 5.700 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.874 5.241 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.126 6.970 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.495 5.954 -2.029 1.00 0.00 H new ATOM 217 N ALA A 16 -16.913 3.898 -5.377 1.00 0.00 N ATOM 218 CA ALA A 16 -17.511 2.597 -5.637 1.00 0.00 C ATOM 219 C ALA A 16 -17.585 2.355 -7.134 1.00 0.00 C ATOM 220 O ALA A 16 -17.287 1.258 -7.611 1.00 0.00 O ATOM 221 CB ALA A 16 -18.899 2.505 -5.017 1.00 0.00 C ATOM 0 H ALA A 16 -16.914 4.526 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.886 1.829 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.326 1.524 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.826 2.648 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.540 3.277 -5.443 1.00 0.00 H new ATOM 227 N HIS A 17 -17.967 3.383 -7.884 1.00 0.00 N ATOM 228 CA HIS A 17 -17.863 3.326 -9.335 1.00 0.00 C ATOM 229 C HIS A 17 -16.395 3.267 -9.727 1.00 0.00 C ATOM 230 O HIS A 17 -16.024 2.662 -10.734 1.00 0.00 O ATOM 231 CB HIS A 17 -18.537 4.527 -9.988 1.00 0.00 C ATOM 232 CG HIS A 17 -19.023 4.249 -11.378 1.00 0.00 C ATOM 233 ND1 HIS A 17 -20.340 3.991 -11.678 1.00 0.00 N ATOM 234 CD2 HIS A 17 -18.353 4.178 -12.553 1.00 0.00 C ATOM 235 CE1 HIS A 17 -20.462 3.778 -12.974 1.00 0.00 C ATOM 236 NE2 HIS A 17 -19.269 3.884 -13.529 1.00 0.00 N ATOM 0 H HIS A 17 -18.347 4.255 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.376 2.431 -9.687 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.379 4.842 -9.372 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.834 5.359 -10.016 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.293 4.326 -12.695 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -21.382 3.555 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.063 3.766 -14.521 1.00 0.00 H new ATOM 245 N VAL A 18 -15.568 3.899 -8.903 1.00 0.00 N ATOM 246 CA VAL A 18 -14.124 3.812 -9.041 1.00 0.00 C ATOM 247 C VAL A 18 -13.689 2.365 -8.857 1.00 0.00 C ATOM 248 O VAL A 18 -12.883 1.847 -9.620 1.00 0.00 O ATOM 249 CB VAL A 18 -13.410 4.714 -8.003 1.00 0.00 C ATOM 250 CG1 VAL A 18 -11.959 4.305 -7.813 1.00 0.00 C ATOM 251 CG2 VAL A 18 -13.499 6.173 -8.418 1.00 0.00 C ATOM 0 H VAL A 18 -15.879 4.482 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.846 4.159 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.919 4.587 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.490 4.959 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.915 3.274 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.430 4.388 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.993 6.793 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.022 6.305 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.546 6.469 -8.484 1.00 0.00 H new ATOM 261 N LYS A 19 -14.264 1.716 -7.851 1.00 0.00 N ATOM 262 CA LYS A 19 -14.002 0.309 -7.581 1.00 0.00 C ATOM 263 C LYS A 19 -14.429 -0.539 -8.773 1.00 0.00 C ATOM 264 O LYS A 19 -13.732 -1.471 -9.159 1.00 0.00 O ATOM 265 CB LYS A 19 -14.753 -0.131 -6.314 1.00 0.00 C ATOM 266 CG LYS A 19 -15.114 -1.609 -6.278 1.00 0.00 C ATOM 267 CD LYS A 19 -14.530 -2.299 -5.058 1.00 0.00 C ATOM 268 CE LYS A 19 -15.566 -3.164 -4.355 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.757 -4.474 -5.035 1.00 0.00 N ATOM 0 H LYS A 19 -14.922 2.149 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.933 0.170 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.140 0.102 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.667 0.456 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.198 -1.719 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.747 -2.096 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.683 -2.916 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.148 -1.550 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.256 -3.333 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.517 -2.633 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.174 -5.154 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.393 -4.353 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.838 -4.831 -5.365 1.00 0.00 H new ATOM 283 N GLU A 20 -15.573 -0.198 -9.354 1.00 0.00 N ATOM 284 CA GLU A 20 -16.082 -0.909 -10.522 1.00 0.00 C ATOM 285 C GLU A 20 -15.104 -0.793 -11.688 1.00 0.00 C ATOM 286 O GLU A 20 -14.682 -1.801 -12.271 1.00 0.00 O ATOM 287 CB GLU A 20 -17.446 -0.346 -10.927 1.00 0.00 C ATOM 288 CG GLU A 20 -18.264 -1.289 -11.792 1.00 0.00 C ATOM 289 CD GLU A 20 -19.319 -0.573 -12.609 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.810 0.485 -12.165 1.00 0.00 O ATOM 291 OE2 GLU A 20 -19.669 -1.075 -13.702 1.00 0.00 O ATOM 0 H GLU A 20 -16.167 0.568 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.193 -1.962 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.013 -0.109 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.297 0.590 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.597 -1.829 -12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.746 -2.031 -11.156 1.00 0.00 H new ATOM 298 N ALA A 21 -14.733 0.442 -12.006 1.00 0.00 N ATOM 299 CA ALA A 21 -13.790 0.705 -13.083 1.00 0.00 C ATOM 300 C ALA A 21 -12.441 0.057 -12.792 1.00 0.00 C ATOM 301 O ALA A 21 -11.788 -0.475 -13.690 1.00 0.00 O ATOM 302 CB ALA A 21 -13.629 2.202 -13.281 1.00 0.00 C ATOM 0 H ALA A 21 -15.073 1.278 -11.531 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.183 0.269 -14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.921 2.388 -14.089 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.594 2.641 -13.535 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.256 2.653 -12.361 1.00 0.00 H new ATOM 308 N LEU A 22 -12.039 0.097 -11.532 1.00 0.00 N ATOM 309 CA LEU A 22 -10.789 -0.509 -11.100 1.00 0.00 C ATOM 310 C LEU A 22 -10.832 -2.023 -11.267 1.00 0.00 C ATOM 311 O LEU A 22 -9.866 -2.629 -11.723 1.00 0.00 O ATOM 312 CB LEU A 22 -10.504 -0.144 -9.641 1.00 0.00 C ATOM 313 CG LEU A 22 -9.784 1.191 -9.441 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.460 1.408 -7.974 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.517 1.248 -10.278 1.00 0.00 C ATOM 0 H LEU A 22 -12.566 0.547 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.986 -0.121 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.448 -0.116 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.902 -0.935 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.449 1.989 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.948 2.363 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.383 1.414 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.816 0.603 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.020 2.205 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.849 0.440 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.772 1.140 -11.332 1.00 0.00 H new ATOM 327 N GLU A 23 -11.962 -2.625 -10.914 1.00 0.00 N ATOM 328 CA GLU A 23 -12.133 -4.068 -11.034 1.00 0.00 C ATOM 329 C GLU A 23 -12.334 -4.478 -12.488 1.00 0.00 C ATOM 330 O GLU A 23 -12.201 -5.654 -12.840 1.00 0.00 O ATOM 331 CB GLU A 23 -13.312 -4.533 -10.188 1.00 0.00 C ATOM 332 CG GLU A 23 -12.954 -4.724 -8.725 1.00 0.00 C ATOM 333 CD GLU A 23 -14.139 -5.125 -7.880 1.00 0.00 C ATOM 334 OE1 GLU A 23 -15.261 -5.192 -8.420 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.959 -5.369 -6.670 1.00 0.00 O ATOM 0 H GLU A 23 -12.775 -2.135 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.224 -4.547 -10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.118 -3.804 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.692 -5.473 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.180 -5.487 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.532 -3.798 -8.335 1.00 0.00 H new ATOM 342 N LYS A 24 -12.662 -3.505 -13.334 1.00 0.00 N ATOM 343 CA LYS A 24 -12.734 -3.747 -14.769 1.00 0.00 C ATOM 344 C LYS A 24 -11.320 -3.891 -15.337 1.00 0.00 C ATOM 345 O LYS A 24 -11.119 -4.466 -16.409 1.00 0.00 O ATOM 346 CB LYS A 24 -13.520 -2.621 -15.466 1.00 0.00 C ATOM 347 CG LYS A 24 -12.733 -1.835 -16.506 1.00 0.00 C ATOM 348 CD LYS A 24 -13.455 -0.555 -16.895 1.00 0.00 C ATOM 349 CE LYS A 24 -12.765 0.144 -18.054 1.00 0.00 C ATOM 350 NZ LYS A 24 -13.740 0.756 -18.996 1.00 0.00 N ATOM 0 H LYS A 24 -12.880 -2.549 -13.052 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.270 -4.677 -14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.397 -3.054 -15.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.883 -1.928 -14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.746 -1.593 -16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.580 -2.452 -17.391 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.484 -0.786 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.496 0.116 -16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.100 0.917 -17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.143 -0.572 -18.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.228 1.222 -19.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.358 0.016 -19.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.317 1.458 -18.491 1.00 0.00 H new ATOM 364 N VAL A 25 -10.343 -3.385 -14.593 1.00 0.00 N ATOM 365 CA VAL A 25 -8.940 -3.567 -14.932 1.00 0.00 C ATOM 366 C VAL A 25 -8.460 -4.911 -14.381 1.00 0.00 C ATOM 367 O VAL A 25 -8.663 -5.213 -13.205 1.00 0.00 O ATOM 368 CB VAL A 25 -8.065 -2.426 -14.359 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.631 -2.529 -14.864 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.657 -1.068 -14.706 1.00 0.00 C ATOM 0 H VAL A 25 -10.501 -2.841 -13.745 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.844 -3.549 -16.018 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.049 -2.528 -13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.039 -1.715 -14.446 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.205 -3.484 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.623 -2.462 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.027 -0.280 -14.294 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.710 -0.960 -15.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.659 -0.989 -14.284 1.00 0.00 H new ATOM 380 N PRO A 26 -7.847 -5.748 -15.231 1.00 0.00 N ATOM 381 CA PRO A 26 -7.404 -7.092 -14.842 1.00 0.00 C ATOM 382 C PRO A 26 -6.274 -7.076 -13.815 1.00 0.00 C ATOM 383 O PRO A 26 -5.452 -6.157 -13.778 1.00 0.00 O ATOM 384 CB PRO A 26 -6.917 -7.717 -16.159 1.00 0.00 C ATOM 385 CG PRO A 26 -7.437 -6.831 -17.240 1.00 0.00 C ATOM 386 CD PRO A 26 -7.543 -5.462 -16.638 1.00 0.00 C ATOM 0 HA PRO A 26 -8.210 -7.647 -14.362 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.829 -7.773 -16.188 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.291 -8.734 -16.272 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.766 -6.829 -18.099 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.408 -7.177 -17.595 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.615 -4.900 -16.745 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.329 -4.872 -17.110 1.00 0.00 H new ATOM 394 N GLY A 27 -6.245 -8.106 -12.981 1.00 0.00 N ATOM 395 CA GLY A 27 -5.208 -8.229 -11.977 1.00 0.00 C ATOM 396 C GLY A 27 -5.726 -7.935 -10.587 1.00 0.00 C ATOM 397 O GLY A 27 -5.033 -8.155 -9.595 1.00 0.00 O ATOM 0 H GLY A 27 -6.927 -8.864 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.795 -9.237 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.393 -7.545 -12.212 1.00 0.00 H new ATOM 401 N VAL A 28 -6.950 -7.439 -10.513 1.00 0.00 N ATOM 402 CA VAL A 28 -7.559 -7.099 -9.237 1.00 0.00 C ATOM 403 C VAL A 28 -8.051 -8.355 -8.521 1.00 0.00 C ATOM 404 O VAL A 28 -8.894 -9.089 -9.038 1.00 0.00 O ATOM 405 CB VAL A 28 -8.727 -6.109 -9.425 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.525 -5.944 -8.139 1.00 0.00 C ATOM 407 CG2 VAL A 28 -8.208 -4.763 -9.903 1.00 0.00 C ATOM 0 H VAL A 28 -7.543 -7.262 -11.324 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.796 -6.620 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.395 -6.519 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.341 -5.240 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.934 -6.909 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.873 -5.565 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.044 -4.075 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.514 -4.358 -9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.693 -4.889 -10.855 1.00 0.00 H new ATOM 417 N GLN A 29 -7.498 -8.615 -7.343 1.00 0.00 N ATOM 418 CA GLN A 29 -7.922 -9.756 -6.541 1.00 0.00 C ATOM 419 C GLN A 29 -8.896 -9.304 -5.461 1.00 0.00 C ATOM 420 O GLN A 29 -9.849 -10.011 -5.130 1.00 0.00 O ATOM 421 CB GLN A 29 -6.717 -10.448 -5.906 1.00 0.00 C ATOM 422 CG GLN A 29 -5.687 -10.929 -6.915 1.00 0.00 C ATOM 423 CD GLN A 29 -4.342 -11.222 -6.283 1.00 0.00 C ATOM 424 OE1 GLN A 29 -3.806 -12.322 -6.416 1.00 0.00 O ATOM 425 NE2 GLN A 29 -3.785 -10.240 -5.590 1.00 0.00 N ATOM 0 H GLN A 29 -6.757 -8.054 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.423 -10.469 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.238 -9.758 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.065 -11.299 -5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.057 -11.829 -7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.563 -10.173 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.262 -9.343 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.879 -10.381 -5.143 1.00 0.00 H new ATOM 434 N SER A 30 -8.651 -8.117 -4.922 1.00 0.00 N ATOM 435 CA SER A 30 -9.520 -7.535 -3.909 1.00 0.00 C ATOM 436 C SER A 30 -9.417 -6.013 -3.947 1.00 0.00 C ATOM 437 O SER A 30 -8.360 -5.462 -4.266 1.00 0.00 O ATOM 438 CB SER A 30 -9.151 -8.060 -2.516 1.00 0.00 C ATOM 439 OG SER A 30 -8.051 -8.956 -2.577 1.00 0.00 O ATOM 0 H SER A 30 -7.851 -7.535 -5.172 1.00 0.00 H new ATOM 0 HA SER A 30 -10.549 -7.825 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.905 -7.223 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.011 -8.566 -2.076 1.00 0.00 H new ATOM 0 HG SER A 30 -7.837 -9.273 -1.675 1.00 0.00 H new ATOM 445 N ALA A 31 -10.516 -5.341 -3.638 1.00 0.00 N ATOM 446 CA ALA A 31 -10.561 -3.888 -3.675 1.00 0.00 C ATOM 447 C ALA A 31 -11.404 -3.348 -2.529 1.00 0.00 C ATOM 448 O ALA A 31 -12.634 -3.307 -2.605 1.00 0.00 O ATOM 449 CB ALA A 31 -11.106 -3.411 -5.014 1.00 0.00 C ATOM 0 H ALA A 31 -11.392 -5.782 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.546 -3.507 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.134 -2.321 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.461 -3.768 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.113 -3.802 -5.157 1.00 0.00 H new ATOM 455 N LEU A 32 -10.736 -2.933 -1.467 1.00 0.00 N ATOM 456 CA LEU A 32 -11.415 -2.430 -0.286 1.00 0.00 C ATOM 457 C LEU A 32 -11.408 -0.906 -0.284 1.00 0.00 C ATOM 458 O LEU A 32 -10.529 -0.272 0.297 1.00 0.00 O ATOM 459 CB LEU A 32 -10.752 -2.975 0.982 1.00 0.00 C ATOM 460 CG LEU A 32 -10.166 -4.382 0.851 1.00 0.00 C ATOM 461 CD1 LEU A 32 -9.036 -4.584 1.847 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.251 -5.431 1.050 1.00 0.00 C ATOM 0 H LEU A 32 -9.718 -2.935 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.450 -2.770 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.956 -2.292 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.488 -2.977 1.786 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.760 -4.495 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.631 -5.590 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.249 -3.854 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.416 -4.452 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.817 -6.426 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.687 -5.320 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.027 -5.299 0.296 1.00 0.00 H new ATOM 474 N VAL A 33 -12.383 -0.327 -0.962 1.00 0.00 N ATOM 475 CA VAL A 33 -12.497 1.122 -1.051 1.00 0.00 C ATOM 476 C VAL A 33 -13.215 1.688 0.171 1.00 0.00 C ATOM 477 O VAL A 33 -14.229 1.149 0.613 1.00 0.00 O ATOM 478 CB VAL A 33 -13.246 1.559 -2.327 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.322 1.508 -3.532 1.00 0.00 C ATOM 480 CG2 VAL A 33 -14.482 0.699 -2.559 1.00 0.00 C ATOM 0 H VAL A 33 -13.111 -0.838 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.482 1.516 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.576 2.589 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.868 1.820 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.477 2.178 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.957 0.490 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.990 1.029 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.184 -0.344 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.157 0.795 -1.709 1.00 0.00 H new ATOM 490 N SER A 34 -12.680 2.769 0.718 1.00 0.00 N ATOM 491 CA SER A 34 -13.279 3.417 1.873 1.00 0.00 C ATOM 492 C SER A 34 -13.776 4.815 1.509 1.00 0.00 C ATOM 493 O SER A 34 -12.982 5.750 1.356 1.00 0.00 O ATOM 494 CB SER A 34 -12.260 3.484 3.010 1.00 0.00 C ATOM 495 OG SER A 34 -11.360 2.391 2.938 1.00 0.00 O ATOM 0 H SER A 34 -11.829 3.217 0.378 1.00 0.00 H new ATOM 0 HA SER A 34 -14.138 2.832 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.707 4.422 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.777 3.474 3.970 1.00 0.00 H new ATOM 0 HG SER A 34 -11.466 1.827 3.732 1.00 0.00 H new ATOM 501 N TYR A 35 -15.096 4.946 1.368 1.00 0.00 N ATOM 502 CA TYR A 35 -15.718 6.213 0.985 1.00 0.00 C ATOM 503 C TYR A 35 -15.518 7.300 2.050 1.00 0.00 C ATOM 504 O TYR A 35 -15.070 8.395 1.724 1.00 0.00 O ATOM 505 CB TYR A 35 -17.218 6.043 0.682 1.00 0.00 C ATOM 506 CG TYR A 35 -17.709 4.609 0.686 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.397 3.744 -0.356 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.493 4.127 1.726 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.850 2.438 -0.359 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.948 2.821 1.731 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.625 1.982 0.685 1.00 0.00 C ATOM 512 OH TYR A 35 -19.081 0.682 0.685 1.00 0.00 O ATOM 0 H TYR A 35 -15.758 4.184 1.515 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.215 6.536 0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.789 6.610 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.429 6.482 -0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.791 4.098 -1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.752 4.783 2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.598 1.778 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.553 2.460 2.550 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.612 0.522 1.493 1.00 0.00 H new ATOM 522 N PRO A 36 -15.821 7.035 3.342 1.00 0.00 N ATOM 523 CA PRO A 36 -15.679 8.045 4.402 1.00 0.00 C ATOM 524 C PRO A 36 -14.218 8.319 4.770 1.00 0.00 C ATOM 525 O PRO A 36 -13.929 8.917 5.805 1.00 0.00 O ATOM 526 CB PRO A 36 -16.422 7.432 5.600 1.00 0.00 C ATOM 527 CG PRO A 36 -17.134 6.231 5.068 1.00 0.00 C ATOM 528 CD PRO A 36 -16.335 5.771 3.888 1.00 0.00 C ATOM 0 HA PRO A 36 -16.077 9.009 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.726 7.155 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.126 8.145 6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.200 5.449 5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -18.155 6.479 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.529 5.098 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.950 5.236 3.164 1.00 0.00 H new ATOM 536 N LYS A 37 -13.300 7.880 3.915 1.00 0.00 N ATOM 537 CA LYS A 37 -11.873 8.073 4.146 1.00 0.00 C ATOM 538 C LYS A 37 -11.187 8.571 2.878 1.00 0.00 C ATOM 539 O LYS A 37 -10.142 9.220 2.939 1.00 0.00 O ATOM 540 CB LYS A 37 -11.226 6.763 4.606 1.00 0.00 C ATOM 541 CG LYS A 37 -11.706 6.290 5.970 1.00 0.00 C ATOM 542 CD LYS A 37 -10.658 5.445 6.672 1.00 0.00 C ATOM 543 CE LYS A 37 -11.045 5.164 8.116 1.00 0.00 C ATOM 544 NZ LYS A 37 -10.897 3.726 8.461 1.00 0.00 N ATOM 0 H LYS A 37 -13.521 7.385 3.051 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.752 8.823 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.433 5.987 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.144 6.893 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.952 7.153 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.622 5.711 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.531 4.503 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.697 5.959 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.423 5.763 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.077 5.472 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.171 3.577 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.510 3.156 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.907 3.437 8.328 1.00 0.00 H new ATOM 558 N GLY A 38 -11.782 8.267 1.730 1.00 0.00 N ATOM 559 CA GLY A 38 -11.220 8.693 0.465 1.00 0.00 C ATOM 560 C GLY A 38 -9.972 7.919 0.109 1.00 0.00 C ATOM 561 O GLY A 38 -9.027 8.467 -0.456 1.00 0.00 O ATOM 0 H GLY A 38 -12.647 7.731 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.963 8.565 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.986 9.756 0.513 1.00 0.00 H new ATOM 565 N THR A 39 -9.959 6.641 0.448 1.00 0.00 N ATOM 566 CA THR A 39 -8.801 5.805 0.184 1.00 0.00 C ATOM 567 C THR A 39 -9.226 4.430 -0.313 1.00 0.00 C ATOM 568 O THR A 39 -10.328 3.968 -0.016 1.00 0.00 O ATOM 569 CB THR A 39 -7.932 5.649 1.445 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.517 6.378 2.533 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.520 6.156 1.194 1.00 0.00 C ATOM 0 H THR A 39 -10.734 6.161 0.905 1.00 0.00 H new ATOM 0 HA THR A 39 -8.213 6.297 -0.591 1.00 0.00 H new ATOM 0 HB THR A 39 -7.882 4.590 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.961 6.274 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.924 6.036 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.067 5.586 0.383 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.555 7.210 0.920 1.00 0.00 H new ATOM 579 N ALA A 40 -8.361 3.791 -1.084 1.00 0.00 N ATOM 580 CA ALA A 40 -8.648 2.477 -1.625 1.00 0.00 C ATOM 581 C ALA A 40 -7.554 1.486 -1.251 1.00 0.00 C ATOM 582 O ALA A 40 -6.382 1.674 -1.588 1.00 0.00 O ATOM 583 CB ALA A 40 -8.803 2.552 -3.137 1.00 0.00 C ATOM 0 H ALA A 40 -7.450 4.166 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.585 2.126 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.018 1.559 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.623 3.226 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.879 2.925 -3.579 1.00 0.00 H new ATOM 589 N GLN A 41 -7.943 0.447 -0.532 1.00 0.00 N ATOM 590 CA GLN A 41 -7.033 -0.631 -0.183 1.00 0.00 C ATOM 591 C GLN A 41 -7.124 -1.716 -1.243 1.00 0.00 C ATOM 592 O GLN A 41 -7.967 -2.613 -1.166 1.00 0.00 O ATOM 593 CB GLN A 41 -7.367 -1.205 1.202 1.00 0.00 C ATOM 594 CG GLN A 41 -6.991 -0.288 2.359 1.00 0.00 C ATOM 595 CD GLN A 41 -7.904 0.918 2.473 1.00 0.00 C ATOM 596 OE1 GLN A 41 -7.504 2.044 2.183 1.00 0.00 O ATOM 597 NE2 GLN A 41 -9.137 0.691 2.893 1.00 0.00 N ATOM 0 H GLN A 41 -8.891 0.327 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.016 -0.242 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.436 -1.414 1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.851 -2.157 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.025 -0.853 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.963 0.051 2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.431 -0.258 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.795 1.465 2.986 1.00 0.00 H new ATOM 606 N LEU A 42 -6.273 -1.615 -2.248 1.00 0.00 N ATOM 607 CA LEU A 42 -6.347 -2.502 -3.395 1.00 0.00 C ATOM 608 C LEU A 42 -5.332 -3.626 -3.294 1.00 0.00 C ATOM 609 O LEU A 42 -4.161 -3.397 -3.003 1.00 0.00 O ATOM 610 CB LEU A 42 -6.123 -1.715 -4.684 1.00 0.00 C ATOM 611 CG LEU A 42 -7.254 -0.760 -5.059 1.00 0.00 C ATOM 612 CD1 LEU A 42 -6.693 0.551 -5.584 1.00 0.00 C ATOM 613 CD2 LEU A 42 -8.170 -1.406 -6.087 1.00 0.00 C ATOM 0 H LEU A 42 -5.522 -0.927 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.343 -2.945 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.201 -1.142 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.976 -2.420 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.839 -0.544 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.514 1.219 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.077 1.017 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.085 0.359 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.972 -0.714 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.598 -1.649 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.598 -2.318 -5.671 1.00 0.00 H new ATOM 625 N ALA A 43 -5.794 -4.841 -3.533 1.00 0.00 N ATOM 626 CA ALA A 43 -4.924 -5.999 -3.562 1.00 0.00 C ATOM 627 C ALA A 43 -4.798 -6.502 -4.991 1.00 0.00 C ATOM 628 O ALA A 43 -5.493 -7.435 -5.409 1.00 0.00 O ATOM 629 CB ALA A 43 -5.450 -7.093 -2.647 1.00 0.00 C ATOM 0 H ALA A 43 -6.776 -5.050 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.937 -5.712 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.781 -7.952 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.502 -6.719 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.445 -7.394 -2.974 1.00 0.00 H new ATOM 635 N ILE A 44 -3.931 -5.848 -5.743 1.00 0.00 N ATOM 636 CA ILE A 44 -3.707 -6.197 -7.135 1.00 0.00 C ATOM 637 C ILE A 44 -2.587 -7.213 -7.260 1.00 0.00 C ATOM 638 O ILE A 44 -1.585 -7.141 -6.547 1.00 0.00 O ATOM 639 CB ILE A 44 -3.366 -4.962 -7.998 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.629 -3.904 -7.169 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.630 -4.379 -8.605 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.207 -3.659 -7.624 1.00 0.00 C ATOM 0 H ILE A 44 -3.366 -5.066 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.639 -6.626 -7.503 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.706 -5.279 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.183 -2.967 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.619 -4.216 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.375 -3.509 -9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.112 -5.129 -9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.311 -4.079 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.749 -2.899 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.637 -4.585 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.210 -3.317 -8.659 1.00 0.00 H new ATOM 654 N VAL A 45 -2.771 -8.159 -8.163 1.00 0.00 N ATOM 655 CA VAL A 45 -1.784 -9.191 -8.416 1.00 0.00 C ATOM 656 C VAL A 45 -0.491 -8.568 -8.946 1.00 0.00 C ATOM 657 O VAL A 45 -0.529 -7.524 -9.605 1.00 0.00 O ATOM 658 CB VAL A 45 -2.340 -10.235 -9.422 1.00 0.00 C ATOM 659 CG1 VAL A 45 -2.014 -9.866 -10.862 1.00 0.00 C ATOM 660 CG2 VAL A 45 -1.825 -11.625 -9.096 1.00 0.00 C ATOM 0 H VAL A 45 -3.608 -8.233 -8.741 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.563 -9.701 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.425 -10.234 -9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.421 -10.623 -11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.454 -8.897 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.933 -9.813 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.228 -12.340 -9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.736 -11.631 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.141 -11.903 -8.091 1.00 0.00 H new ATOM 670 N PRO A 46 0.671 -9.154 -8.605 1.00 0.00 N ATOM 671 CA PRO A 46 1.967 -8.751 -9.167 1.00 0.00 C ATOM 672 C PRO A 46 2.015 -8.943 -10.683 1.00 0.00 C ATOM 673 O PRO A 46 2.659 -9.861 -11.196 1.00 0.00 O ATOM 674 CB PRO A 46 2.969 -9.681 -8.474 1.00 0.00 C ATOM 675 CG PRO A 46 2.274 -10.134 -7.239 1.00 0.00 C ATOM 676 CD PRO A 46 0.823 -10.221 -7.605 1.00 0.00 C ATOM 0 HA PRO A 46 2.174 -7.694 -9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.233 -10.525 -9.112 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.896 -9.158 -8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.654 -11.100 -6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.431 -9.432 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.568 -11.198 -8.015 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.178 -10.060 -6.741 1.00 0.00 H new ATOM 684 N GLY A 47 1.311 -8.073 -11.380 1.00 0.00 N ATOM 685 CA GLY A 47 1.252 -8.110 -12.823 1.00 0.00 C ATOM 686 C GLY A 47 0.774 -6.783 -13.359 1.00 0.00 C ATOM 687 O GLY A 47 1.180 -6.348 -14.436 1.00 0.00 O ATOM 0 H GLY A 47 0.765 -7.321 -10.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.237 -8.341 -13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.580 -8.905 -13.147 1.00 0.00 H new ATOM 691 N THR A 48 -0.108 -6.147 -12.597 1.00 0.00 N ATOM 692 CA THR A 48 -0.534 -4.789 -12.880 1.00 0.00 C ATOM 693 C THR A 48 0.436 -3.798 -12.265 1.00 0.00 C ATOM 694 O THR A 48 1.551 -4.163 -11.884 1.00 0.00 O ATOM 695 CB THR A 48 -1.958 -4.534 -12.351 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.550 -5.772 -11.923 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.826 -3.895 -13.425 1.00 0.00 C ATOM 0 H THR A 48 -0.544 -6.558 -11.771 1.00 0.00 H new ATOM 0 HA THR A 48 -0.544 -4.655 -13.962 1.00 0.00 H new ATOM 0 HB THR A 48 -1.893 -3.850 -11.504 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.455 -5.603 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.827 -3.724 -13.030 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.388 -2.944 -13.728 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.885 -4.559 -14.288 1.00 0.00 H new ATOM 705 N SER A 49 0.017 -2.553 -12.149 1.00 0.00 N ATOM 706 CA SER A 49 0.894 -1.523 -11.650 1.00 0.00 C ATOM 707 C SER A 49 0.085 -0.428 -10.964 1.00 0.00 C ATOM 708 O SER A 49 -1.033 -0.131 -11.380 1.00 0.00 O ATOM 709 CB SER A 49 1.719 -0.932 -12.798 1.00 0.00 C ATOM 710 OG SER A 49 1.374 -1.536 -14.039 1.00 0.00 O ATOM 0 H SER A 49 -0.921 -2.236 -12.393 1.00 0.00 H new ATOM 0 HA SER A 49 1.573 -1.964 -10.920 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.552 0.144 -12.854 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.781 -1.079 -12.601 1.00 0.00 H new ATOM 0 HG SER A 49 1.913 -1.141 -14.756 1.00 0.00 H new ATOM 716 N PRO A 50 0.617 0.162 -9.882 1.00 0.00 N ATOM 717 CA PRO A 50 -0.064 1.242 -9.163 1.00 0.00 C ATOM 718 C PRO A 50 -0.354 2.443 -10.049 1.00 0.00 C ATOM 719 O PRO A 50 -1.353 3.143 -9.857 1.00 0.00 O ATOM 720 CB PRO A 50 0.908 1.626 -8.040 1.00 0.00 C ATOM 721 CG PRO A 50 2.215 1.000 -8.399 1.00 0.00 C ATOM 722 CD PRO A 50 1.900 -0.194 -9.256 1.00 0.00 C ATOM 0 HA PRO A 50 -1.038 0.917 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.003 2.709 -7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.553 1.264 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.848 1.706 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.760 0.701 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.676 -0.369 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.818 -1.104 -8.662 1.00 0.00 H new ATOM 730 N ASP A 51 0.508 2.670 -11.026 1.00 0.00 N ATOM 731 CA ASP A 51 0.298 3.750 -11.981 1.00 0.00 C ATOM 732 C ASP A 51 -0.908 3.443 -12.857 1.00 0.00 C ATOM 733 O ASP A 51 -1.585 4.350 -13.331 1.00 0.00 O ATOM 734 CB ASP A 51 1.551 3.978 -12.841 1.00 0.00 C ATOM 735 CG ASP A 51 1.433 3.412 -14.246 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.741 2.220 -14.437 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.047 4.161 -15.173 1.00 0.00 O ATOM 0 H ASP A 51 1.356 2.125 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 51 0.105 4.668 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.749 5.048 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.409 3.524 -12.346 1.00 0.00 H new ATOM 742 N ALA A 52 -1.200 2.157 -13.021 1.00 0.00 N ATOM 743 CA ALA A 52 -2.289 1.728 -13.887 1.00 0.00 C ATOM 744 C ALA A 52 -3.626 1.965 -13.207 1.00 0.00 C ATOM 745 O ALA A 52 -4.613 2.310 -13.851 1.00 0.00 O ATOM 746 CB ALA A 52 -2.133 0.264 -14.267 1.00 0.00 C ATOM 0 H ALA A 52 -0.697 1.395 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.255 2.319 -14.802 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.958 -0.034 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.189 0.123 -14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.140 -0.349 -13.365 1.00 0.00 H new ATOM 752 N LEU A 53 -3.635 1.801 -11.894 1.00 0.00 N ATOM 753 CA LEU A 53 -4.844 1.986 -11.108 1.00 0.00 C ATOM 754 C LEU A 53 -5.148 3.469 -10.993 1.00 0.00 C ATOM 755 O LEU A 53 -6.272 3.913 -11.244 1.00 0.00 O ATOM 756 CB LEU A 53 -4.679 1.368 -9.723 1.00 0.00 C ATOM 757 CG LEU A 53 -4.542 -0.154 -9.709 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.264 -0.565 -8.999 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.750 -0.796 -9.045 1.00 0.00 C ATOM 0 H LEU A 53 -2.814 1.539 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.675 1.486 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.798 1.802 -9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.538 1.646 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.493 -0.503 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.182 -1.652 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.406 -0.137 -9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.286 -0.202 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.632 -1.880 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.832 -0.440 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.652 -0.529 -9.595 1.00 0.00 H new ATOM 771 N THR A 54 -4.119 4.228 -10.640 1.00 0.00 N ATOM 772 CA THR A 54 -4.213 5.674 -10.576 1.00 0.00 C ATOM 773 C THR A 54 -4.700 6.227 -11.915 1.00 0.00 C ATOM 774 O THR A 54 -5.622 7.037 -11.972 1.00 0.00 O ATOM 775 CB THR A 54 -2.845 6.299 -10.236 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.260 5.627 -9.112 1.00 0.00 O ATOM 777 CG2 THR A 54 -2.979 7.781 -9.931 1.00 0.00 C ATOM 0 H THR A 54 -3.202 3.858 -10.392 1.00 0.00 H new ATOM 0 HA THR A 54 -4.924 5.932 -9.791 1.00 0.00 H new ATOM 0 HB THR A 54 -2.199 6.183 -11.106 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.829 4.800 -9.413 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.998 8.194 -9.695 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.390 8.296 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.645 7.918 -9.079 1.00 0.00 H new ATOM 785 N ALA A 55 -4.078 5.752 -12.992 1.00 0.00 N ATOM 786 CA ALA A 55 -4.412 6.190 -14.344 1.00 0.00 C ATOM 787 C ALA A 55 -5.811 5.746 -14.743 1.00 0.00 C ATOM 788 O ALA A 55 -6.490 6.431 -15.506 1.00 0.00 O ATOM 789 CB ALA A 55 -3.395 5.672 -15.347 1.00 0.00 C ATOM 0 H ALA A 55 -3.333 5.057 -12.952 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.387 7.280 -14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.665 6.011 -16.347 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.406 6.050 -15.090 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.384 4.582 -15.324 1.00 0.00 H new ATOM 795 N ALA A 56 -6.232 4.588 -14.246 1.00 0.00 N ATOM 796 CA ALA A 56 -7.574 4.090 -14.517 1.00 0.00 C ATOM 797 C ALA A 56 -8.608 5.011 -13.893 1.00 0.00 C ATOM 798 O ALA A 56 -9.578 5.398 -14.538 1.00 0.00 O ATOM 799 CB ALA A 56 -7.741 2.670 -13.997 1.00 0.00 C ATOM 0 H ALA A 56 -5.665 3.979 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.724 4.073 -15.596 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.751 2.320 -14.211 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.019 2.016 -14.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.573 2.655 -12.920 1.00 0.00 H new ATOM 805 N VAL A 57 -8.367 5.387 -12.645 1.00 0.00 N ATOM 806 CA VAL A 57 -9.267 6.278 -11.925 1.00 0.00 C ATOM 807 C VAL A 57 -9.192 7.685 -12.501 1.00 0.00 C ATOM 808 O VAL A 57 -10.217 8.339 -12.701 1.00 0.00 O ATOM 809 CB VAL A 57 -8.935 6.330 -10.417 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.929 7.208 -9.673 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.916 4.933 -9.823 1.00 0.00 C ATOM 0 H VAL A 57 -7.553 5.088 -12.108 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.276 5.882 -12.043 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.942 6.767 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.674 7.229 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.892 8.221 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.934 6.805 -9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.680 4.993 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.894 4.469 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.160 4.333 -10.329 1.00 0.00 H new ATOM 821 N ALA A 58 -7.974 8.140 -12.777 1.00 0.00 N ATOM 822 CA ALA A 58 -7.771 9.464 -13.350 1.00 0.00 C ATOM 823 C ALA A 58 -8.399 9.545 -14.735 1.00 0.00 C ATOM 824 O ALA A 58 -9.043 10.534 -15.086 1.00 0.00 O ATOM 825 CB ALA A 58 -6.287 9.791 -13.425 1.00 0.00 C ATOM 0 H ALA A 58 -7.116 7.613 -12.614 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.255 10.196 -12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.154 10.784 -13.856 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.859 9.770 -12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.783 9.054 -14.050 1.00 0.00 H new ATOM 831 N GLY A 59 -8.222 8.481 -15.504 1.00 0.00 N ATOM 832 CA GLY A 59 -8.739 8.429 -16.853 1.00 0.00 C ATOM 833 C GLY A 59 -10.230 8.180 -16.896 1.00 0.00 C ATOM 834 O GLY A 59 -10.876 8.448 -17.908 1.00 0.00 O ATOM 0 H GLY A 59 -7.722 7.642 -15.211 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.517 9.368 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.227 7.640 -17.404 1.00 0.00 H new ATOM 838 N LEU A 60 -10.782 7.660 -15.806 1.00 0.00 N ATOM 839 CA LEU A 60 -12.220 7.426 -15.724 1.00 0.00 C ATOM 840 C LEU A 60 -12.978 8.738 -15.534 1.00 0.00 C ATOM 841 O LEU A 60 -14.198 8.793 -15.687 1.00 0.00 O ATOM 842 CB LEU A 60 -12.541 6.470 -14.582 1.00 0.00 C ATOM 843 CG LEU A 60 -13.199 5.155 -15.002 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.644 5.382 -15.414 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.419 4.493 -16.129 1.00 0.00 C ATOM 0 H LEU A 60 -10.260 7.394 -14.971 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.540 6.976 -16.664 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.618 6.242 -14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.199 6.979 -13.877 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.189 4.485 -14.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.092 4.433 -15.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.200 5.801 -14.575 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.678 6.076 -16.254 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.907 3.560 -16.410 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.388 5.160 -16.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.403 4.285 -15.795 1.00 0.00 H new ATOM 857 N GLY A 61 -12.247 9.795 -15.212 1.00 0.00 N ATOM 858 CA GLY A 61 -12.865 11.082 -14.980 1.00 0.00 C ATOM 859 C GLY A 61 -12.670 11.538 -13.554 1.00 0.00 C ATOM 860 O GLY A 61 -12.807 12.719 -13.237 1.00 0.00 O ATOM 0 H GLY A 61 -11.232 9.783 -15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.440 11.819 -15.661 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.931 11.021 -15.202 1.00 0.00 H new ATOM 864 N TYR A 62 -12.329 10.592 -12.693 1.00 0.00 N ATOM 865 CA TYR A 62 -12.080 10.892 -11.297 1.00 0.00 C ATOM 866 C TYR A 62 -10.612 11.254 -11.104 1.00 0.00 C ATOM 867 O TYR A 62 -9.903 11.539 -12.069 1.00 0.00 O ATOM 868 CB TYR A 62 -12.445 9.699 -10.407 1.00 0.00 C ATOM 869 CG TYR A 62 -13.773 9.052 -10.735 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.960 9.570 -10.236 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.840 7.933 -11.556 1.00 0.00 C ATOM 872 CE1 TYR A 62 -16.178 8.992 -10.543 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.054 7.350 -11.871 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.213 7.845 -11.319 1.00 0.00 C ATOM 875 OH TYR A 62 -17.432 7.307 -11.674 1.00 0.00 O ATOM 0 H TYR A 62 -12.219 9.608 -12.940 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.705 11.737 -11.008 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.660 8.948 -10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.463 10.029 -9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.932 10.440 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.929 7.512 -11.955 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.095 9.432 -10.180 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.092 6.509 -12.548 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.306 6.662 -12.401 1.00 0.00 H new ATOM 885 N LYS A 63 -10.157 11.236 -9.864 1.00 0.00 N ATOM 886 CA LYS A 63 -8.770 11.537 -9.558 1.00 0.00 C ATOM 887 C LYS A 63 -8.271 10.609 -8.466 1.00 0.00 C ATOM 888 O LYS A 63 -9.040 10.209 -7.592 1.00 0.00 O ATOM 889 CB LYS A 63 -8.621 12.996 -9.119 1.00 0.00 C ATOM 890 CG LYS A 63 -7.981 13.884 -10.175 1.00 0.00 C ATOM 891 CD LYS A 63 -9.031 14.550 -11.053 1.00 0.00 C ATOM 892 CE LYS A 63 -8.558 14.683 -12.493 1.00 0.00 C ATOM 893 NZ LYS A 63 -8.140 13.377 -13.070 1.00 0.00 N ATOM 0 H LYS A 63 -10.730 11.015 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.172 11.385 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.604 13.394 -8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.020 13.034 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.373 14.648 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.311 13.289 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.952 13.967 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.266 15.537 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.359 15.106 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.722 15.381 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.494 13.299 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.102 13.315 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.532 12.603 -12.496 1.00 0.00 H new ATOM 907 N ALA A 64 -6.997 10.261 -8.523 1.00 0.00 N ATOM 908 CA ALA A 64 -6.400 9.398 -7.518 1.00 0.00 C ATOM 909 C ALA A 64 -4.915 9.689 -7.389 1.00 0.00 C ATOM 910 O ALA A 64 -4.277 10.130 -8.343 1.00 0.00 O ATOM 911 CB ALA A 64 -6.625 7.934 -7.870 1.00 0.00 C ATOM 0 H ALA A 64 -6.355 10.563 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.879 9.599 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.171 7.302 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.695 7.732 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.170 7.718 -8.837 1.00 0.00 H new ATOM 917 N THR A 65 -4.375 9.462 -6.209 1.00 0.00 N ATOM 918 CA THR A 65 -2.965 9.669 -5.963 1.00 0.00 C ATOM 919 C THR A 65 -2.409 8.537 -5.112 1.00 0.00 C ATOM 920 O THR A 65 -2.870 8.305 -3.992 1.00 0.00 O ATOM 921 CB THR A 65 -2.718 11.018 -5.264 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.953 11.743 -5.146 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.709 11.850 -6.040 1.00 0.00 C ATOM 0 H THR A 65 -4.899 9.131 -5.399 1.00 0.00 H new ATOM 0 HA THR A 65 -2.453 9.681 -6.925 1.00 0.00 H new ATOM 0 HB THR A 65 -2.316 10.821 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.788 12.599 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.550 12.799 -5.528 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.765 11.309 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.089 12.039 -7.044 1.00 0.00 H new ATOM 931 N LEU A 66 -1.443 7.809 -5.656 1.00 0.00 N ATOM 932 CA LEU A 66 -0.849 6.690 -4.940 1.00 0.00 C ATOM 933 C LEU A 66 0.002 7.199 -3.780 1.00 0.00 C ATOM 934 O LEU A 66 0.971 7.933 -3.978 1.00 0.00 O ATOM 935 CB LEU A 66 -0.017 5.817 -5.890 1.00 0.00 C ATOM 936 CG LEU A 66 1.095 4.996 -5.232 1.00 0.00 C ATOM 937 CD1 LEU A 66 0.592 3.606 -4.872 1.00 0.00 C ATOM 938 CD2 LEU A 66 2.299 4.905 -6.156 1.00 0.00 C ATOM 0 H LEU A 66 -1.056 7.972 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.650 6.072 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.689 5.134 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.431 6.461 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 66 1.399 5.497 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.396 3.037 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.243 3.690 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.262 3.093 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.082 4.319 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.006 4.424 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.673 5.907 -6.366 1.00 0.00 H new ATOM 950 N ALA A 67 -0.384 6.817 -2.574 1.00 0.00 N ATOM 951 CA ALA A 67 0.314 7.222 -1.367 1.00 0.00 C ATOM 952 C ALA A 67 0.281 6.081 -0.367 1.00 0.00 C ATOM 953 O ALA A 67 -0.493 6.093 0.594 1.00 0.00 O ATOM 954 CB ALA A 67 -0.317 8.477 -0.780 1.00 0.00 C ATOM 0 H ALA A 67 -1.191 6.217 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 67 1.351 7.455 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.219 8.765 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.262 9.286 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.361 8.279 -0.535 1.00 0.00 H new