USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 586 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 37 SER OG : rot 170:sc= 0.798 USER MOD Set 1.2: A 39 THR OG1 : rot -152:sc= 0.142 USER MOD Set 1.3: A 52 TYR OH : rot 30:sc= 0.134 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.339 (180deg=-1.46!) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0296 (180deg=0) USER MOD Single : A 8 CYS SG : rot 10:sc= -6.47! USER MOD Single : A 16 LYS NZ :NH3+ 141:sc= -0.25 (180deg=-1.34!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 0:sc= 0.133! USER MOD Single : A 33 THR OG1 : rot 90:sc= -0.592 USER MOD Single : A 34 TYR OH : rot 27:sc= 0.406 USER MOD Single : A 35 TYR OH : rot -140:sc= -1.57! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 45 SER OG : rot 131:sc= 1.28 USER MOD Single : A 46 LYS NZ :NH3+ -127:sc= 0.309 (180deg=-0.921!) USER MOD Single : A 50 THR OG1 : rot -23:sc= -7.64! USER MOD Single : A 57 CYS SG : rot -170:sc= -0.0643 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.0268 (180deg=-0.0214) USER MOD Single : A 66 GLN : amide:sc= -0.0691 K(o=-0.069,f=-1.7!) USER MOD Single : A 70 CYS SG : rot 48:sc= -0.0393 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.747 -2.240 19.536 1.00 0.00 N ATOM 2 CA MET A 1 50.710 -2.858 18.583 1.00 0.00 C ATOM 3 C MET A 1 51.594 -1.764 17.976 1.00 0.00 C ATOM 4 O MET A 1 51.346 -0.588 18.151 1.00 0.00 O ATOM 5 CB MET A 1 49.939 -3.571 17.471 1.00 0.00 C ATOM 6 CG MET A 1 50.243 -5.070 17.519 1.00 0.00 C ATOM 7 SD MET A 1 51.524 -5.464 16.303 1.00 0.00 S ATOM 8 CE MET A 1 50.548 -5.100 14.824 1.00 0.00 C ATOM 0 H1 MET A 1 48.893 -2.830 19.599 1.00 0.00 H new ATOM 0 H2 MET A 1 50.187 -2.167 20.476 1.00 0.00 H new ATOM 0 H3 MET A 1 49.487 -1.290 19.200 1.00 0.00 H new ATOM 0 HA MET A 1 51.335 -3.580 19.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.869 -3.402 17.590 1.00 0.00 H new ATOM 0 HB3 MET A 1 50.220 -3.163 16.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 50.575 -5.353 18.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.339 -5.642 17.310 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.771 -5.835 14.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.487 -5.141 15.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.798 -4.104 14.460 1.00 0.00 H new ATOM 18 N ALA A 2 52.625 -2.138 17.268 1.00 0.00 N ATOM 19 CA ALA A 2 53.518 -1.110 16.661 1.00 0.00 C ATOM 20 C ALA A 2 54.194 -1.679 15.411 1.00 0.00 C ATOM 21 O ALA A 2 54.335 -2.877 15.259 1.00 0.00 O ATOM 22 CB ALA A 2 54.588 -0.706 17.677 1.00 0.00 C ATOM 0 H ALA A 2 52.887 -3.107 17.084 1.00 0.00 H new ATOM 0 HA ALA A 2 52.925 -0.239 16.383 1.00 0.00 H new ATOM 0 HB1 ALA A 2 55.243 0.046 17.236 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.109 -0.294 18.565 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.175 -1.581 17.954 1.00 0.00 H new ATOM 28 N GLU A 3 54.618 -0.826 14.518 1.00 0.00 N ATOM 29 CA GLU A 3 55.291 -1.309 13.278 1.00 0.00 C ATOM 30 C GLU A 3 56.755 -1.632 13.587 1.00 0.00 C ATOM 31 O GLU A 3 57.174 -1.618 14.728 1.00 0.00 O ATOM 32 CB GLU A 3 55.227 -0.220 12.206 1.00 0.00 C ATOM 33 CG GLU A 3 53.970 -0.412 11.355 1.00 0.00 C ATOM 34 CD GLU A 3 52.864 0.516 11.859 1.00 0.00 C ATOM 35 OE1 GLU A 3 52.116 0.098 12.727 1.00 0.00 O ATOM 36 OE2 GLU A 3 52.782 1.630 11.367 1.00 0.00 O ATOM 0 H GLU A 3 54.527 0.187 14.594 1.00 0.00 H new ATOM 0 HA GLU A 3 54.787 -2.206 12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 3 55.215 0.765 12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 3 56.115 -0.263 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 3 54.190 -0.198 10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 3 53.639 -1.449 11.405 1.00 0.00 H new ATOM 43 N ASP A 4 57.538 -1.925 12.583 1.00 0.00 N ATOM 44 CA ASP A 4 58.972 -2.249 12.830 1.00 0.00 C ATOM 45 C ASP A 4 59.862 -1.409 11.911 1.00 0.00 C ATOM 46 O ASP A 4 60.633 -1.933 11.132 1.00 0.00 O ATOM 47 CB ASP A 4 59.217 -3.733 12.551 1.00 0.00 C ATOM 48 CG ASP A 4 60.421 -4.212 13.366 1.00 0.00 C ATOM 49 OD1 ASP A 4 61.529 -4.102 12.869 1.00 0.00 O ATOM 50 OD2 ASP A 4 60.213 -4.678 14.474 1.00 0.00 O ATOM 0 H ASP A 4 57.247 -1.954 11.606 1.00 0.00 H new ATOM 0 HA ASP A 4 59.213 -2.026 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 4 58.333 -4.314 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 4 59.398 -3.889 11.488 1.00 0.00 H new ATOM 55 N TRP A 5 59.770 -0.110 12.000 1.00 0.00 N ATOM 56 CA TRP A 5 60.621 0.754 11.134 1.00 0.00 C ATOM 57 C TRP A 5 62.081 0.312 11.265 1.00 0.00 C ATOM 58 O TRP A 5 62.751 0.633 12.226 1.00 0.00 O ATOM 59 CB TRP A 5 60.489 2.211 11.580 1.00 0.00 C ATOM 60 CG TRP A 5 59.051 2.618 11.540 1.00 0.00 C ATOM 61 CD1 TRP A 5 58.172 2.470 12.558 1.00 0.00 C ATOM 62 CD2 TRP A 5 58.313 3.235 10.448 1.00 0.00 C ATOM 63 NE1 TRP A 5 56.940 2.958 12.158 1.00 0.00 N ATOM 64 CE2 TRP A 5 56.977 3.441 10.865 1.00 0.00 C ATOM 65 CE3 TRP A 5 58.670 3.633 9.147 1.00 0.00 C ATOM 66 CZ2 TRP A 5 56.028 4.020 10.022 1.00 0.00 C ATOM 67 CZ3 TRP A 5 57.718 4.217 8.295 1.00 0.00 C ATOM 68 CH2 TRP A 5 56.400 4.410 8.732 1.00 0.00 C ATOM 0 H TRP A 5 59.145 0.389 12.633 1.00 0.00 H new ATOM 0 HA TRP A 5 60.300 0.663 10.096 1.00 0.00 H new ATOM 0 HB2 TRP A 5 60.884 2.330 12.589 1.00 0.00 H new ATOM 0 HB3 TRP A 5 61.079 2.856 10.929 1.00 0.00 H new ATOM 0 HD1 TRP A 5 58.395 2.042 13.524 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.107 2.960 12.746 1.00 0.00 H new ATOM 0 HE3 TRP A 5 59.683 3.489 8.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 55.014 4.166 10.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 58.003 4.519 7.298 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.672 4.860 8.073 1.00 0.00 H new ATOM 79 N LEU A 6 62.578 -0.425 10.310 1.00 0.00 N ATOM 80 CA LEU A 6 63.993 -0.887 10.391 1.00 0.00 C ATOM 81 C LEU A 6 64.847 -0.110 9.389 1.00 0.00 C ATOM 82 O LEU A 6 64.386 0.276 8.332 1.00 0.00 O ATOM 83 CB LEU A 6 64.061 -2.380 10.066 1.00 0.00 C ATOM 84 CG LEU A 6 63.518 -2.623 8.656 1.00 0.00 C ATOM 85 CD1 LEU A 6 64.461 -3.562 7.901 1.00 0.00 C ATOM 86 CD2 LEU A 6 62.131 -3.263 8.750 1.00 0.00 C ATOM 0 H LEU A 6 62.068 -0.727 9.480 1.00 0.00 H new ATOM 0 HA LEU A 6 64.371 -0.714 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.090 -2.731 10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 6 63.480 -2.948 10.793 1.00 0.00 H new ATOM 0 HG LEU A 6 63.448 -1.674 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.075 -3.735 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.450 -3.109 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.531 -4.511 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 6 61.742 -3.437 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 6 62.203 -4.212 9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 6 61.458 -2.596 9.289 1.00 0.00 H new ATOM 98 N ASP A 7 66.091 0.121 9.711 1.00 0.00 N ATOM 99 CA ASP A 7 66.977 0.869 8.777 1.00 0.00 C ATOM 100 C ASP A 7 66.761 0.352 7.354 1.00 0.00 C ATOM 101 O ASP A 7 66.784 -0.837 7.108 1.00 0.00 O ATOM 102 CB ASP A 7 68.438 0.661 9.181 1.00 0.00 C ATOM 103 CG ASP A 7 68.593 0.902 10.684 1.00 0.00 C ATOM 104 OD1 ASP A 7 67.782 1.629 11.233 1.00 0.00 O ATOM 105 OD2 ASP A 7 69.519 0.355 11.260 1.00 0.00 O ATOM 0 H ASP A 7 66.531 -0.177 10.582 1.00 0.00 H new ATOM 0 HA ASP A 7 66.739 1.932 8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 7 68.755 -0.351 8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 7 69.081 1.343 8.625 1.00 0.00 H new ATOM 110 N CYS A 8 66.544 1.234 6.417 1.00 0.00 N ATOM 111 CA CYS A 8 66.322 0.790 5.012 1.00 0.00 C ATOM 112 C CYS A 8 67.674 0.637 4.301 1.00 0.00 C ATOM 113 O CYS A 8 68.365 1.612 4.081 1.00 0.00 O ATOM 114 CB CYS A 8 65.478 1.840 4.283 1.00 0.00 C ATOM 115 SG CYS A 8 65.472 1.491 2.507 1.00 0.00 S ATOM 0 H CYS A 8 66.511 2.243 6.564 1.00 0.00 H new ATOM 0 HA CYS A 8 65.803 -0.168 5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 8 64.458 1.833 4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.881 2.836 4.466 1.00 0.00 H new ATOM 0 HG CYS A 8 66.004 0.325 2.292 1.00 0.00 H new ATOM 121 N PRO A 9 68.015 -0.584 3.960 1.00 0.00 N ATOM 122 CA PRO A 9 69.282 -0.887 3.271 1.00 0.00 C ATOM 123 C PRO A 9 69.155 -0.598 1.772 1.00 0.00 C ATOM 124 O PRO A 9 70.004 0.038 1.179 1.00 0.00 O ATOM 125 CB PRO A 9 69.471 -2.387 3.516 1.00 0.00 C ATOM 126 CG PRO A 9 68.065 -2.961 3.815 1.00 0.00 C ATOM 127 CD PRO A 9 67.179 -1.771 4.230 1.00 0.00 C ATOM 0 HA PRO A 9 70.120 -0.289 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 9 69.911 -2.871 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 9 70.148 -2.562 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 9 67.656 -3.460 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 9 68.112 -3.704 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 9 66.253 -1.745 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 9 66.900 -1.830 5.282 1.00 0.00 H new ATOM 135 N ALA A 10 68.104 -1.068 1.155 1.00 0.00 N ATOM 136 CA ALA A 10 67.919 -0.830 -0.306 1.00 0.00 C ATOM 137 C ALA A 10 68.305 0.611 -0.651 1.00 0.00 C ATOM 138 O ALA A 10 68.843 0.882 -1.706 1.00 0.00 O ATOM 139 CB ALA A 10 66.455 -1.069 -0.679 1.00 0.00 C ATOM 0 H ALA A 10 67.363 -1.608 1.602 1.00 0.00 H new ATOM 0 HA ALA A 10 68.556 -1.515 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 10 66.318 -0.895 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 10 66.182 -2.097 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.820 -0.385 -0.116 1.00 0.00 H new ATOM 145 N LEU A 11 68.034 1.538 0.227 1.00 0.00 N ATOM 146 CA LEU A 11 68.386 2.957 -0.060 1.00 0.00 C ATOM 147 C LEU A 11 69.598 3.366 0.778 1.00 0.00 C ATOM 148 O LEU A 11 70.661 3.637 0.257 1.00 0.00 O ATOM 149 CB LEU A 11 67.197 3.859 0.284 1.00 0.00 C ATOM 150 CG LEU A 11 65.939 3.346 -0.422 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.856 4.425 -0.383 1.00 0.00 C ATOM 152 CD2 LEU A 11 66.269 3.011 -1.879 1.00 0.00 C ATOM 0 H LEU A 11 67.585 1.374 1.128 1.00 0.00 H new ATOM 0 HA LEU A 11 68.627 3.062 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.040 3.874 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.405 4.884 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 11 65.580 2.450 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.960 4.060 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.618 4.665 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.216 5.321 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.373 2.646 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.629 3.906 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 11 67.041 2.242 -1.910 1.00 0.00 H new ATOM 164 N GLY A 12 69.448 3.412 2.074 1.00 0.00 N ATOM 165 CA GLY A 12 70.594 3.805 2.940 1.00 0.00 C ATOM 166 C GLY A 12 70.068 4.414 4.243 1.00 0.00 C ATOM 167 O GLY A 12 68.995 4.072 4.697 1.00 0.00 O ATOM 0 H GLY A 12 68.583 3.195 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 12 71.214 2.935 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 12 71.226 4.525 2.420 1.00 0.00 H new ATOM 171 N PRO A 13 70.848 5.302 4.805 1.00 0.00 N ATOM 172 CA PRO A 13 70.498 5.985 6.063 1.00 0.00 C ATOM 173 C PRO A 13 69.475 7.095 5.805 1.00 0.00 C ATOM 174 O PRO A 13 69.405 7.650 4.727 1.00 0.00 O ATOM 175 CB PRO A 13 71.830 6.573 6.535 1.00 0.00 C ATOM 176 CG PRO A 13 72.726 6.688 5.278 1.00 0.00 C ATOM 177 CD PRO A 13 72.152 5.707 4.239 1.00 0.00 C ATOM 0 HA PRO A 13 70.045 5.320 6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 13 71.682 7.549 6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 13 72.293 5.932 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.723 7.707 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 13 73.761 6.440 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 13 72.033 6.182 3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 13 72.808 4.848 4.097 1.00 0.00 H new ATOM 185 N GLY A 14 68.686 7.426 6.791 1.00 0.00 N ATOM 186 CA GLY A 14 67.673 8.504 6.608 1.00 0.00 C ATOM 187 C GLY A 14 66.358 7.902 6.108 1.00 0.00 C ATOM 188 O GLY A 14 65.297 8.462 6.302 1.00 0.00 O ATOM 0 H GLY A 14 68.699 6.996 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 14 67.509 9.025 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 14 68.040 9.243 5.895 1.00 0.00 H new ATOM 192 N TRP A 15 66.416 6.770 5.462 1.00 0.00 N ATOM 193 CA TRP A 15 65.166 6.142 4.948 1.00 0.00 C ATOM 194 C TRP A 15 64.700 5.050 5.915 1.00 0.00 C ATOM 195 O TRP A 15 65.476 4.228 6.360 1.00 0.00 O ATOM 196 CB TRP A 15 65.435 5.528 3.574 1.00 0.00 C ATOM 197 CG TRP A 15 64.174 5.527 2.772 1.00 0.00 C ATOM 198 CD1 TRP A 15 63.522 4.422 2.349 1.00 0.00 C ATOM 199 CD2 TRP A 15 63.405 6.665 2.289 1.00 0.00 C ATOM 200 NE1 TRP A 15 62.401 4.811 1.637 1.00 0.00 N ATOM 201 CE2 TRP A 15 62.286 6.183 1.572 1.00 0.00 C ATOM 202 CE3 TRP A 15 63.568 8.055 2.403 1.00 0.00 C ATOM 203 CZ2 TRP A 15 61.362 7.050 0.988 1.00 0.00 C ATOM 204 CZ3 TRP A 15 62.642 8.932 1.816 1.00 0.00 C ATOM 205 CH2 TRP A 15 61.541 8.430 1.110 1.00 0.00 C ATOM 0 H TRP A 15 67.274 6.253 5.268 1.00 0.00 H new ATOM 0 HA TRP A 15 64.388 6.901 4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 15 66.208 6.096 3.055 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.808 4.510 3.686 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.826 3.403 2.536 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.740 4.161 1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 15 64.412 8.453 2.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 60.515 6.657 0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 62.779 9.999 1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 15 60.832 9.109 0.661 1.00 0.00 H new ATOM 216 N LYS A 16 63.435 5.036 6.244 1.00 0.00 N ATOM 217 CA LYS A 16 62.920 3.998 7.182 1.00 0.00 C ATOM 218 C LYS A 16 62.115 2.956 6.401 1.00 0.00 C ATOM 219 O LYS A 16 61.096 3.260 5.812 1.00 0.00 O ATOM 220 CB LYS A 16 62.020 4.658 8.230 1.00 0.00 C ATOM 221 CG LYS A 16 62.805 5.744 8.969 1.00 0.00 C ATOM 222 CD LYS A 16 63.586 5.112 10.122 1.00 0.00 C ATOM 223 CE LYS A 16 64.126 6.211 11.039 1.00 0.00 C ATOM 224 NZ LYS A 16 62.998 7.056 11.523 1.00 0.00 N ATOM 0 H LYS A 16 62.738 5.698 5.904 1.00 0.00 H new ATOM 0 HA LYS A 16 63.759 3.510 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.143 5.092 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 16 61.659 3.911 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 16 63.489 6.244 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 16 62.124 6.504 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.941 4.439 10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 16 64.409 4.513 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 16 64.651 5.768 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 64.849 6.825 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 63.156 7.308 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 62.943 7.923 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.106 6.528 11.437 1.00 0.00 H new ATOM 238 N ARG A 17 62.560 1.728 6.392 1.00 0.00 N ATOM 239 CA ARG A 17 61.817 0.669 5.651 1.00 0.00 C ATOM 240 C ARG A 17 60.793 0.023 6.587 1.00 0.00 C ATOM 241 O ARG A 17 61.133 -0.768 7.445 1.00 0.00 O ATOM 242 CB ARG A 17 62.801 -0.393 5.151 1.00 0.00 C ATOM 243 CG ARG A 17 62.212 -1.107 3.932 1.00 0.00 C ATOM 244 CD ARG A 17 63.109 -0.873 2.713 1.00 0.00 C ATOM 245 NE ARG A 17 62.666 0.360 2.002 1.00 0.00 N ATOM 246 CZ ARG A 17 63.160 0.657 0.830 1.00 0.00 C ATOM 247 NH1 ARG A 17 63.784 -0.250 0.130 1.00 0.00 N ATOM 248 NH2 ARG A 17 63.031 1.866 0.359 1.00 0.00 N ATOM 0 H ARG A 17 63.406 1.413 6.866 1.00 0.00 H new ATOM 0 HA ARG A 17 61.302 1.111 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 17 63.751 0.072 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 17 63.007 -1.114 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 17 62.124 -2.175 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.207 -0.736 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 17 64.148 -0.772 3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 17 63.060 -1.730 2.042 1.00 0.00 H new ATOM 0 HE ARG A 17 61.975 0.974 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 17 63.888 -1.196 0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 17 64.168 -0.013 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.545 2.577 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.416 2.101 -0.556 1.00 0.00 H new ATOM 262 N ARG A 18 59.540 0.361 6.435 1.00 0.00 N ATOM 263 CA ARG A 18 58.495 -0.225 7.322 1.00 0.00 C ATOM 264 C ARG A 18 57.824 -1.413 6.627 1.00 0.00 C ATOM 265 O ARG A 18 57.561 -1.386 5.441 1.00 0.00 O ATOM 266 CB ARG A 18 57.440 0.840 7.634 1.00 0.00 C ATOM 267 CG ARG A 18 56.500 0.325 8.726 1.00 0.00 C ATOM 268 CD ARG A 18 55.055 0.383 8.226 1.00 0.00 C ATOM 269 NE ARG A 18 54.341 1.503 8.899 1.00 0.00 N ATOM 270 CZ ARG A 18 53.588 2.307 8.202 1.00 0.00 C ATOM 271 NH1 ARG A 18 54.128 3.115 7.331 1.00 0.00 N ATOM 272 NH2 ARG A 18 52.294 2.303 8.373 1.00 0.00 N ATOM 0 H ARG A 18 59.196 1.018 5.735 1.00 0.00 H new ATOM 0 HA ARG A 18 58.961 -0.567 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.923 1.761 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.873 1.079 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 18 56.763 -0.699 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.608 0.928 9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.038 0.524 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.550 -0.561 8.432 1.00 0.00 H new ATOM 0 HE ARG A 18 54.441 1.641 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.139 3.117 7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.539 3.744 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.871 1.670 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.706 2.932 7.827 1.00 0.00 H new ATOM 286 N GLU A 19 57.537 -2.453 7.362 1.00 0.00 N ATOM 287 CA GLU A 19 56.875 -3.641 6.754 1.00 0.00 C ATOM 288 C GLU A 19 55.798 -4.157 7.712 1.00 0.00 C ATOM 289 O GLU A 19 56.030 -4.307 8.895 1.00 0.00 O ATOM 290 CB GLU A 19 57.914 -4.738 6.507 1.00 0.00 C ATOM 291 CG GLU A 19 58.640 -5.066 7.814 1.00 0.00 C ATOM 292 CD GLU A 19 59.572 -6.260 7.593 1.00 0.00 C ATOM 293 OE1 GLU A 19 59.808 -6.598 6.444 1.00 0.00 O ATOM 294 OE2 GLU A 19 60.035 -6.815 8.576 1.00 0.00 O ATOM 0 H GLU A 19 57.733 -2.531 8.360 1.00 0.00 H new ATOM 0 HA GLU A 19 56.418 -3.362 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 19 57.427 -5.632 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.631 -4.410 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 59.212 -4.202 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.917 -5.295 8.597 1.00 0.00 H new ATOM 301 N VAL A 20 54.620 -4.423 7.215 1.00 0.00 N ATOM 302 CA VAL A 20 53.537 -4.921 8.110 1.00 0.00 C ATOM 303 C VAL A 20 53.417 -6.437 7.979 1.00 0.00 C ATOM 304 O VAL A 20 52.434 -7.030 8.374 1.00 0.00 O ATOM 305 CB VAL A 20 52.209 -4.267 7.725 1.00 0.00 C ATOM 306 CG1 VAL A 20 51.159 -4.583 8.792 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.396 -2.751 7.626 1.00 0.00 C ATOM 0 H VAL A 20 54.362 -4.318 6.234 1.00 0.00 H new ATOM 0 HA VAL A 20 53.779 -4.666 9.142 1.00 0.00 H new ATOM 0 HB VAL A 20 51.878 -4.655 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 20 50.212 -4.118 8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 20 51.026 -5.663 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 51.490 -4.194 9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 20 51.450 -2.285 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 20 52.727 -2.362 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 20 53.145 -2.526 6.867 1.00 0.00 H new ATOM 317 N PHE A 21 54.419 -7.064 7.436 1.00 0.00 N ATOM 318 CA PHE A 21 54.383 -8.546 7.282 1.00 0.00 C ATOM 319 C PHE A 21 53.256 -8.951 6.327 1.00 0.00 C ATOM 320 O PHE A 21 53.496 -9.458 5.250 1.00 0.00 O ATOM 321 CB PHE A 21 54.149 -9.194 8.648 1.00 0.00 C ATOM 322 CG PHE A 21 55.260 -10.175 8.937 1.00 0.00 C ATOM 323 CD1 PHE A 21 56.588 -9.735 8.987 1.00 0.00 C ATOM 324 CD2 PHE A 21 54.961 -11.526 9.153 1.00 0.00 C ATOM 325 CE1 PHE A 21 57.617 -10.646 9.253 1.00 0.00 C ATOM 326 CE2 PHE A 21 55.991 -12.437 9.420 1.00 0.00 C ATOM 327 CZ PHE A 21 57.318 -11.997 9.469 1.00 0.00 C ATOM 0 H PHE A 21 55.266 -6.614 7.090 1.00 0.00 H new ATOM 0 HA PHE A 21 55.335 -8.883 6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 21 54.114 -8.429 9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 21 53.186 -9.705 8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 21 56.819 -8.693 8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 21 53.936 -11.865 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 21 58.642 -10.307 9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 21 55.761 -13.479 9.588 1.00 0.00 H new ATOM 0 HZ PHE A 21 58.112 -12.700 9.674 1.00 0.00 H new ATOM 337 N ARG A 22 52.027 -8.743 6.717 1.00 0.00 N ATOM 338 CA ARG A 22 50.890 -9.132 5.835 1.00 0.00 C ATOM 339 C ARG A 22 51.158 -10.525 5.265 1.00 0.00 C ATOM 340 O ARG A 22 50.856 -10.812 4.124 1.00 0.00 O ATOM 341 CB ARG A 22 50.755 -8.125 4.692 1.00 0.00 C ATOM 342 CG ARG A 22 49.374 -7.470 4.757 1.00 0.00 C ATOM 343 CD ARG A 22 49.264 -6.641 6.038 1.00 0.00 C ATOM 344 NE ARG A 22 48.371 -5.473 5.800 1.00 0.00 N ATOM 345 CZ ARG A 22 47.084 -5.648 5.685 1.00 0.00 C ATOM 346 NH1 ARG A 22 46.370 -5.950 6.734 1.00 0.00 N ATOM 347 NH2 ARG A 22 46.511 -5.519 4.520 1.00 0.00 N ATOM 0 H ARG A 22 51.762 -8.321 7.607 1.00 0.00 H new ATOM 0 HA ARG A 22 49.964 -9.141 6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 22 51.534 -7.366 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 22 50.888 -8.626 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 49.220 -6.834 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 22 48.596 -8.233 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 22 48.869 -7.255 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 22 50.251 -6.300 6.349 1.00 0.00 H new ATOM 0 HE ARG A 22 48.766 -4.536 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 22 46.818 -6.049 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 22 45.363 -6.087 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 22 47.070 -5.282 3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 22 45.504 -5.656 4.429 1.00 0.00 H new ATOM 361 N LYS A 23 51.729 -11.391 6.057 1.00 0.00 N ATOM 362 CA LYS A 23 52.029 -12.768 5.574 1.00 0.00 C ATOM 363 C LYS A 23 50.984 -13.744 6.120 1.00 0.00 C ATOM 364 O LYS A 23 51.239 -14.483 7.050 1.00 0.00 O ATOM 365 CB LYS A 23 53.417 -13.182 6.067 1.00 0.00 C ATOM 366 CG LYS A 23 53.796 -14.537 5.466 1.00 0.00 C ATOM 367 CD LYS A 23 55.173 -14.955 5.985 1.00 0.00 C ATOM 368 CE LYS A 23 55.701 -16.125 5.154 1.00 0.00 C ATOM 369 NZ LYS A 23 56.788 -15.645 4.254 1.00 0.00 N ATOM 0 H LYS A 23 52.002 -11.203 7.022 1.00 0.00 H new ATOM 0 HA LYS A 23 52.004 -12.785 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 23 54.153 -12.429 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 53.424 -13.242 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 23 53.051 -15.287 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 23 53.809 -14.474 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 55.865 -14.114 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 55.105 -15.242 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 23 56.077 -16.910 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 54.893 -16.561 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.147 -16.441 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 56.414 -14.910 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.562 -15.249 4.825 1.00 0.00 H new ATOM 383 N SER A 24 49.810 -13.755 5.550 1.00 0.00 N ATOM 384 CA SER A 24 48.756 -14.687 6.040 1.00 0.00 C ATOM 385 C SER A 24 48.676 -15.899 5.109 1.00 0.00 C ATOM 386 O SER A 24 49.195 -15.884 4.010 1.00 0.00 O ATOM 387 CB SER A 24 47.405 -13.971 6.059 1.00 0.00 C ATOM 388 OG SER A 24 46.480 -14.736 6.820 1.00 0.00 O ATOM 0 H SER A 24 49.536 -13.160 4.768 1.00 0.00 H new ATOM 0 HA SER A 24 49.005 -15.016 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 24 47.514 -12.976 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 24 47.036 -13.839 5.042 1.00 0.00 H new ATOM 0 HG SER A 24 45.613 -14.279 6.836 1.00 0.00 H new ATOM 394 N GLY A 25 48.032 -16.950 5.539 1.00 0.00 N ATOM 395 CA GLY A 25 47.922 -18.160 4.678 1.00 0.00 C ATOM 396 C GLY A 25 47.177 -17.805 3.390 1.00 0.00 C ATOM 397 O GLY A 25 47.532 -18.245 2.315 1.00 0.00 O ATOM 0 H GLY A 25 47.578 -17.022 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 25 48.915 -18.543 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 25 47.393 -18.951 5.210 1.00 0.00 H new ATOM 401 N ALA A 26 46.146 -17.012 3.491 1.00 0.00 N ATOM 402 CA ALA A 26 45.380 -16.629 2.272 1.00 0.00 C ATOM 403 C ALA A 26 46.328 -15.999 1.251 1.00 0.00 C ATOM 404 O ALA A 26 47.456 -15.668 1.558 1.00 0.00 O ATOM 405 CB ALA A 26 44.292 -15.621 2.648 1.00 0.00 C ATOM 0 H ALA A 26 45.801 -16.613 4.364 1.00 0.00 H new ATOM 0 HA ALA A 26 44.918 -17.517 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 26 43.732 -15.341 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 43.616 -16.070 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 44.753 -14.733 3.081 1.00 0.00 H new ATOM 411 N THR A 27 45.880 -15.829 0.038 1.00 0.00 N ATOM 412 CA THR A 27 46.757 -15.219 -1.000 1.00 0.00 C ATOM 413 C THR A 27 46.382 -13.746 -1.177 1.00 0.00 C ATOM 414 O THR A 27 46.633 -13.150 -2.205 1.00 0.00 O ATOM 415 CB THR A 27 46.570 -15.961 -2.327 1.00 0.00 C ATOM 416 OG1 THR A 27 45.188 -15.994 -2.660 1.00 0.00 O ATOM 417 CG2 THR A 27 47.100 -17.389 -2.192 1.00 0.00 C ATOM 0 H THR A 27 44.945 -16.086 -0.279 1.00 0.00 H new ATOM 0 HA THR A 27 47.799 -15.294 -0.689 1.00 0.00 H new ATOM 0 HB THR A 27 47.120 -15.445 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 27 45.067 -16.467 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 27 46.967 -17.917 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 27 48.160 -17.361 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.552 -17.908 -1.406 1.00 0.00 H new ATOM 425 N CYS A 28 45.784 -13.154 -0.178 1.00 0.00 N ATOM 426 CA CYS A 28 45.395 -11.720 -0.288 1.00 0.00 C ATOM 427 C CYS A 28 46.619 -10.889 -0.678 1.00 0.00 C ATOM 428 O CYS A 28 46.609 -10.178 -1.664 1.00 0.00 O ATOM 429 CB CYS A 28 44.855 -11.232 1.059 1.00 0.00 C ATOM 430 SG CYS A 28 43.195 -11.904 1.324 1.00 0.00 S ATOM 0 H CYS A 28 45.549 -13.601 0.708 1.00 0.00 H new ATOM 0 HA CYS A 28 44.623 -11.610 -1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 28 45.519 -11.546 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 28 44.825 -10.143 1.078 1.00 0.00 H new ATOM 0 HG CYS A 28 42.737 -11.491 2.469 1.00 0.00 H new ATOM 436 N GLY A 29 47.674 -10.974 0.086 1.00 0.00 N ATOM 437 CA GLY A 29 48.897 -10.189 -0.246 1.00 0.00 C ATOM 438 C GLY A 29 50.123 -10.857 0.381 1.00 0.00 C ATOM 439 O GLY A 29 50.026 -11.891 1.012 1.00 0.00 O ATOM 0 H GLY A 29 47.742 -11.552 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 49.018 -10.126 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.798 -9.168 0.124 1.00 0.00 H new ATOM 443 N ARG A 30 51.277 -10.272 0.211 1.00 0.00 N ATOM 444 CA ARG A 30 52.513 -10.867 0.795 1.00 0.00 C ATOM 445 C ARG A 30 52.946 -10.041 2.008 1.00 0.00 C ATOM 446 O ARG A 30 52.966 -10.519 3.125 1.00 0.00 O ATOM 447 CB ARG A 30 53.626 -10.854 -0.258 1.00 0.00 C ATOM 448 CG ARG A 30 54.957 -11.254 0.385 1.00 0.00 C ATOM 449 CD ARG A 30 55.002 -12.772 0.568 1.00 0.00 C ATOM 450 NE ARG A 30 55.393 -13.416 -0.719 1.00 0.00 N ATOM 451 CZ ARG A 30 55.784 -14.662 -0.736 1.00 0.00 C ATOM 452 NH1 ARG A 30 57.037 -14.957 -0.522 1.00 0.00 N ATOM 453 NH2 ARG A 30 54.922 -15.613 -0.969 1.00 0.00 N ATOM 0 H ARG A 30 51.418 -9.405 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 30 52.318 -11.894 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 30 53.381 -11.543 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 30 53.709 -9.861 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 30 55.788 -10.928 -0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 30 55.071 -10.758 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 55.715 -13.034 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 30 54.027 -13.139 0.890 1.00 0.00 H new ATOM 0 HE ARG A 30 55.355 -12.882 -1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 30 57.712 -14.214 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.341 -15.930 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 30 53.943 -15.383 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 30 55.227 -16.586 -0.982 1.00 0.00 H new ATOM 467 N SER A 31 53.291 -8.802 1.793 1.00 0.00 N ATOM 468 CA SER A 31 53.725 -7.935 2.924 1.00 0.00 C ATOM 469 C SER A 31 53.811 -6.487 2.435 1.00 0.00 C ATOM 470 O SER A 31 54.406 -6.204 1.415 1.00 0.00 O ATOM 471 CB SER A 31 55.099 -8.389 3.416 1.00 0.00 C ATOM 472 OG SER A 31 56.101 -7.874 2.550 1.00 0.00 O ATOM 0 H SER A 31 53.291 -8.351 0.878 1.00 0.00 H new ATOM 0 HA SER A 31 53.008 -8.007 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 31 55.267 -8.039 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 31 55.148 -9.478 3.441 1.00 0.00 H new ATOM 0 HG SER A 31 55.680 -7.343 1.842 1.00 0.00 H new ATOM 478 N ASP A 32 53.219 -5.568 3.147 1.00 0.00 N ATOM 479 CA ASP A 32 53.269 -4.145 2.709 1.00 0.00 C ATOM 480 C ASP A 32 54.620 -3.539 3.091 1.00 0.00 C ATOM 481 O ASP A 32 55.169 -3.827 4.136 1.00 0.00 O ATOM 482 CB ASP A 32 52.149 -3.360 3.393 1.00 0.00 C ATOM 483 CG ASP A 32 50.800 -3.777 2.804 1.00 0.00 C ATOM 484 OD1 ASP A 32 50.521 -3.387 1.682 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.070 -4.478 3.484 1.00 0.00 O ATOM 0 H ASP A 32 52.704 -5.740 4.011 1.00 0.00 H new ATOM 0 HA ASP A 32 53.141 -4.095 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 32 52.162 -3.547 4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.303 -2.290 3.254 1.00 0.00 H new ATOM 490 N THR A 33 55.162 -2.701 2.249 1.00 0.00 N ATOM 491 CA THR A 33 56.477 -2.077 2.562 1.00 0.00 C ATOM 492 C THR A 33 56.369 -0.557 2.426 1.00 0.00 C ATOM 493 O THR A 33 56.584 -0.002 1.367 1.00 0.00 O ATOM 494 CB THR A 33 57.534 -2.600 1.586 1.00 0.00 C ATOM 495 OG1 THR A 33 56.899 -3.348 0.559 1.00 0.00 O ATOM 496 CG2 THR A 33 58.524 -3.493 2.335 1.00 0.00 C ATOM 0 H THR A 33 54.750 -2.422 1.358 1.00 0.00 H new ATOM 0 HA THR A 33 56.764 -2.331 3.583 1.00 0.00 H new ATOM 0 HB THR A 33 58.070 -1.760 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.664 -2.752 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.276 -3.865 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 33 59.011 -2.917 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 33 57.992 -4.335 2.778 1.00 0.00 H new ATOM 504 N TYR A 34 56.042 0.120 3.492 1.00 0.00 N ATOM 505 CA TYR A 34 55.926 1.603 3.425 1.00 0.00 C ATOM 506 C TYR A 34 57.204 2.230 3.982 1.00 0.00 C ATOM 507 O TYR A 34 57.770 1.754 4.946 1.00 0.00 O ATOM 508 CB TYR A 34 54.725 2.057 4.256 1.00 0.00 C ATOM 509 CG TYR A 34 53.507 1.267 3.842 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.381 0.821 2.521 1.00 0.00 C ATOM 511 CD2 TYR A 34 52.507 0.977 4.777 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.255 0.087 2.134 1.00 0.00 C ATOM 513 CE2 TYR A 34 51.380 0.242 4.390 1.00 0.00 C ATOM 514 CZ TYR A 34 51.254 -0.203 3.068 1.00 0.00 C ATOM 515 OH TYR A 34 50.144 -0.928 2.687 1.00 0.00 O ATOM 0 H TYR A 34 55.850 -0.290 4.406 1.00 0.00 H new ATOM 0 HA TYR A 34 55.786 1.917 2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.925 1.909 5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 34 54.549 3.123 4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 34 54.154 1.044 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.605 1.320 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.158 -0.256 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 34 50.608 0.018 5.111 1.00 0.00 H new ATOM 0 HH TYR A 34 50.375 -1.508 1.932 1.00 0.00 H new ATOM 525 N TYR A 35 57.672 3.285 3.377 1.00 0.00 N ATOM 526 CA TYR A 35 58.923 3.926 3.870 1.00 0.00 C ATOM 527 C TYR A 35 58.627 5.345 4.355 1.00 0.00 C ATOM 528 O TYR A 35 57.647 5.954 3.974 1.00 0.00 O ATOM 529 CB TYR A 35 59.945 3.976 2.735 1.00 0.00 C ATOM 530 CG TYR A 35 59.977 2.638 2.040 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.759 1.469 2.774 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.219 2.567 0.663 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.783 0.225 2.134 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.244 1.323 0.021 1.00 0.00 C ATOM 535 CZ TYR A 35 60.026 0.151 0.757 1.00 0.00 C ATOM 536 OH TYR A 35 60.048 -1.076 0.125 1.00 0.00 O ATOM 0 H TYR A 35 57.244 3.730 2.565 1.00 0.00 H new ATOM 0 HA TYR A 35 59.323 3.344 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.682 4.761 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 35 60.932 4.219 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.572 1.526 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 35 60.386 3.471 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.614 -0.678 2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 35 60.431 1.267 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 35 60.767 -1.088 -0.541 1.00 0.00 H new ATOM 546 N GLN A 36 59.474 5.874 5.195 1.00 0.00 N ATOM 547 CA GLN A 36 59.256 7.252 5.711 1.00 0.00 C ATOM 548 C GLN A 36 60.594 7.993 5.750 1.00 0.00 C ATOM 549 O GLN A 36 61.532 7.566 6.394 1.00 0.00 O ATOM 550 CB GLN A 36 58.671 7.182 7.124 1.00 0.00 C ATOM 551 CG GLN A 36 58.570 8.592 7.708 1.00 0.00 C ATOM 552 CD GLN A 36 58.434 8.507 9.229 1.00 0.00 C ATOM 553 OE1 GLN A 36 57.760 7.637 9.744 1.00 0.00 O ATOM 554 NE2 GLN A 36 59.049 9.383 9.976 1.00 0.00 N ATOM 0 H GLN A 36 60.310 5.408 5.547 1.00 0.00 H new ATOM 0 HA GLN A 36 58.562 7.782 5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 36 57.686 6.717 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 36 59.301 6.559 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 36 59.455 9.171 7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 36 57.711 9.112 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 36 59.615 10.114 9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 36 58.964 9.337 10.991 1.00 0.00 H new ATOM 563 N SER A 37 60.689 9.099 5.065 1.00 0.00 N ATOM 564 CA SER A 37 61.965 9.868 5.064 1.00 0.00 C ATOM 565 C SER A 37 62.131 10.573 6.414 1.00 0.00 C ATOM 566 O SER A 37 61.238 10.547 7.237 1.00 0.00 O ATOM 567 CB SER A 37 61.931 10.906 3.943 1.00 0.00 C ATOM 568 OG SER A 37 61.565 12.169 4.484 1.00 0.00 O ATOM 0 H SER A 37 59.938 9.504 4.506 1.00 0.00 H new ATOM 0 HA SER A 37 62.803 9.190 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.907 10.972 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.218 10.606 3.175 1.00 0.00 H new ATOM 0 HG SER A 37 61.697 12.865 3.807 1.00 0.00 H new ATOM 574 N PRO A 38 63.275 11.182 6.600 1.00 0.00 N ATOM 575 CA PRO A 38 63.598 11.905 7.842 1.00 0.00 C ATOM 576 C PRO A 38 62.939 13.290 7.849 1.00 0.00 C ATOM 577 O PRO A 38 63.222 14.115 8.695 1.00 0.00 O ATOM 578 CB PRO A 38 65.122 12.034 7.794 1.00 0.00 C ATOM 579 CG PRO A 38 65.525 11.902 6.305 1.00 0.00 C ATOM 580 CD PRO A 38 64.354 11.202 5.591 1.00 0.00 C ATOM 0 HA PRO A 38 63.241 11.395 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 38 65.444 12.993 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.597 11.258 8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 38 65.715 12.882 5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.443 11.323 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.052 11.745 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 38 64.624 10.194 5.277 1.00 0.00 H new ATOM 588 N THR A 39 62.069 13.555 6.914 1.00 0.00 N ATOM 589 CA THR A 39 61.405 14.888 6.874 1.00 0.00 C ATOM 590 C THR A 39 59.890 14.717 6.998 1.00 0.00 C ATOM 591 O THR A 39 59.131 15.639 6.770 1.00 0.00 O ATOM 592 CB THR A 39 61.734 15.578 5.548 1.00 0.00 C ATOM 593 OG1 THR A 39 60.831 15.130 4.548 1.00 0.00 O ATOM 594 CG2 THR A 39 63.167 15.236 5.136 1.00 0.00 C ATOM 0 H THR A 39 61.790 12.907 6.177 1.00 0.00 H new ATOM 0 HA THR A 39 61.766 15.496 7.704 1.00 0.00 H new ATOM 0 HB THR A 39 61.640 16.658 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 39 61.261 15.188 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 39 63.401 15.727 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 63.859 15.580 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 39 63.264 14.157 5.017 1.00 0.00 H new ATOM 602 N GLY A 40 59.440 13.547 7.362 1.00 0.00 N ATOM 603 CA GLY A 40 57.973 13.325 7.503 1.00 0.00 C ATOM 604 C GLY A 40 57.372 12.955 6.145 1.00 0.00 C ATOM 605 O GLY A 40 56.179 13.056 5.936 1.00 0.00 O ATOM 0 H GLY A 40 60.024 12.736 7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 57.784 12.529 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 40 57.495 14.225 7.889 1.00 0.00 H new ATOM 609 N ASP A 41 58.186 12.524 5.221 1.00 0.00 N ATOM 610 CA ASP A 41 57.657 12.145 3.879 1.00 0.00 C ATOM 611 C ASP A 41 57.451 10.630 3.825 1.00 0.00 C ATOM 612 O ASP A 41 58.392 9.865 3.889 1.00 0.00 O ATOM 613 CB ASP A 41 58.657 12.564 2.800 1.00 0.00 C ATOM 614 CG ASP A 41 58.028 12.375 1.418 1.00 0.00 C ATOM 615 OD1 ASP A 41 56.810 12.368 1.339 1.00 0.00 O ATOM 616 OD2 ASP A 41 58.775 12.242 0.463 1.00 0.00 O ATOM 0 H ASP A 41 59.194 12.418 5.336 1.00 0.00 H new ATOM 0 HA ASP A 41 56.706 12.648 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.944 13.606 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.566 11.969 2.882 1.00 0.00 H new ATOM 621 N ARG A 42 56.228 10.189 3.713 1.00 0.00 N ATOM 622 CA ARG A 42 55.969 8.723 3.662 1.00 0.00 C ATOM 623 C ARG A 42 55.550 8.319 2.246 1.00 0.00 C ATOM 624 O ARG A 42 54.747 8.977 1.614 1.00 0.00 O ATOM 625 CB ARG A 42 54.849 8.371 4.642 1.00 0.00 C ATOM 626 CG ARG A 42 53.763 9.446 4.581 1.00 0.00 C ATOM 627 CD ARG A 42 53.964 10.443 5.723 1.00 0.00 C ATOM 628 NE ARG A 42 52.654 10.708 6.382 1.00 0.00 N ATOM 629 CZ ARG A 42 52.616 11.165 7.604 1.00 0.00 C ATOM 630 NH1 ARG A 42 53.331 12.206 7.935 1.00 0.00 N ATOM 631 NH2 ARG A 42 51.860 10.583 8.494 1.00 0.00 N ATOM 0 H ARG A 42 55.398 10.780 3.655 1.00 0.00 H new ATOM 0 HA ARG A 42 56.878 8.187 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 42 54.426 7.397 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 42 55.247 8.297 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.802 9.963 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.777 8.986 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.675 10.045 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.386 11.372 5.340 1.00 0.00 H new ATOM 0 HE ARG A 42 51.785 10.532 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.920 12.663 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.301 12.563 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.299 9.771 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.830 10.940 9.449 1.00 0.00 H new ATOM 645 N ILE A 43 56.085 7.239 1.745 1.00 0.00 N ATOM 646 CA ILE A 43 55.716 6.789 0.373 1.00 0.00 C ATOM 647 C ILE A 43 55.539 5.270 0.370 1.00 0.00 C ATOM 648 O ILE A 43 56.075 4.572 1.208 1.00 0.00 O ATOM 649 CB ILE A 43 56.825 7.174 -0.606 1.00 0.00 C ATOM 650 CG1 ILE A 43 57.179 8.651 -0.419 1.00 0.00 C ATOM 651 CG2 ILE A 43 56.342 6.943 -2.038 1.00 0.00 C ATOM 652 CD1 ILE A 43 58.565 8.765 0.217 1.00 0.00 C ATOM 0 H ILE A 43 56.762 6.648 2.227 1.00 0.00 H new ATOM 0 HA ILE A 43 54.784 7.267 0.071 1.00 0.00 H new ATOM 0 HB ILE A 43 57.707 6.562 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 43 57.165 9.164 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 43 56.436 9.137 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 43 57.132 7.217 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 43 56.088 5.891 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 43 55.461 7.556 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 43 58.819 9.817 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 43 58.563 8.266 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 43 59.303 8.294 -0.432 1.00 0.00 H new ATOM 664 N ARG A 44 54.791 4.749 -0.564 1.00 0.00 N ATOM 665 CA ARG A 44 54.585 3.274 -0.613 1.00 0.00 C ATOM 666 C ARG A 44 54.597 2.799 -2.066 1.00 0.00 C ATOM 667 O ARG A 44 54.151 1.712 -2.377 1.00 0.00 O ATOM 668 CB ARG A 44 53.242 2.927 0.028 1.00 0.00 C ATOM 669 CG ARG A 44 53.146 3.601 1.396 1.00 0.00 C ATOM 670 CD ARG A 44 51.699 3.551 1.889 1.00 0.00 C ATOM 671 NE ARG A 44 51.068 4.887 1.703 1.00 0.00 N ATOM 672 CZ ARG A 44 51.700 5.964 2.079 1.00 0.00 C ATOM 673 NH1 ARG A 44 52.311 5.993 3.232 1.00 0.00 N ATOM 674 NH2 ARG A 44 51.723 7.011 1.301 1.00 0.00 N ATOM 0 H ARG A 44 54.315 5.280 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 44 55.388 2.779 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 44 52.424 3.259 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 44 53.145 1.847 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 44 53.801 3.099 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 44 53.483 4.635 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 44 51.141 2.793 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 44 51.671 3.266 2.941 1.00 0.00 H new ATOM 0 HE ARG A 44 50.142 4.960 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 44 52.294 5.173 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 44 52.805 6.835 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 44 51.247 6.987 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 44 52.217 7.854 1.594 1.00 0.00 H new ATOM 688 N SER A 45 55.112 3.598 -2.958 1.00 0.00 N ATOM 689 CA SER A 45 55.162 3.183 -4.387 1.00 0.00 C ATOM 690 C SER A 45 56.494 2.482 -4.650 1.00 0.00 C ATOM 691 O SER A 45 56.603 1.277 -4.550 1.00 0.00 O ATOM 692 CB SER A 45 55.045 4.416 -5.283 1.00 0.00 C ATOM 693 OG SER A 45 53.753 4.445 -5.877 1.00 0.00 O ATOM 0 H SER A 45 55.500 4.520 -2.759 1.00 0.00 H new ATOM 0 HA SER A 45 54.337 2.505 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 45 55.209 5.321 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 45 55.813 4.392 -6.056 1.00 0.00 H new ATOM 0 HG SER A 45 53.362 5.337 -5.766 1.00 0.00 H new ATOM 699 N LYS A 46 57.506 3.237 -4.977 1.00 0.00 N ATOM 700 CA LYS A 46 58.849 2.645 -5.245 1.00 0.00 C ATOM 701 C LYS A 46 59.651 3.644 -6.074 1.00 0.00 C ATOM 702 O LYS A 46 60.682 4.132 -5.653 1.00 0.00 O ATOM 703 CB LYS A 46 58.703 1.329 -6.019 1.00 0.00 C ATOM 704 CG LYS A 46 60.055 0.923 -6.608 1.00 0.00 C ATOM 705 CD LYS A 46 59.893 -0.370 -7.409 1.00 0.00 C ATOM 706 CE LYS A 46 59.003 -0.109 -8.625 1.00 0.00 C ATOM 707 NZ LYS A 46 59.772 -0.387 -9.871 1.00 0.00 N ATOM 0 H LYS A 46 57.460 4.252 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 46 59.358 2.435 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 46 58.334 0.546 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 46 57.968 1.445 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 60.437 1.716 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 46 60.784 0.780 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 46 60.868 -0.736 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 46 59.453 -1.146 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 46 58.117 -0.742 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 46 58.657 0.925 -8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 59.721 0.438 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 60.766 -0.578 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 59.367 -1.215 -10.352 1.00 0.00 H new ATOM 721 N VAL A 47 59.168 3.976 -7.238 1.00 0.00 N ATOM 722 CA VAL A 47 59.887 4.973 -8.076 1.00 0.00 C ATOM 723 C VAL A 47 59.392 6.359 -7.676 1.00 0.00 C ATOM 724 O VAL A 47 60.050 7.357 -7.894 1.00 0.00 O ATOM 725 CB VAL A 47 59.603 4.725 -9.558 1.00 0.00 C ATOM 726 CG1 VAL A 47 60.475 5.655 -10.404 1.00 0.00 C ATOM 727 CG2 VAL A 47 59.933 3.269 -9.901 1.00 0.00 C ATOM 0 H VAL A 47 58.310 3.602 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 47 60.963 4.890 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 47 58.551 4.921 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 47 60.274 5.480 -11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 60.246 6.692 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 47 61.526 5.456 -10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 47 59.731 3.089 -10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 47 60.986 3.076 -9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 47 59.317 2.604 -9.296 1.00 0.00 H new ATOM 737 N GLU A 48 58.236 6.421 -7.068 1.00 0.00 N ATOM 738 CA GLU A 48 57.696 7.731 -6.622 1.00 0.00 C ATOM 739 C GLU A 48 58.557 8.228 -5.464 1.00 0.00 C ATOM 740 O GLU A 48 58.924 9.385 -5.400 1.00 0.00 O ATOM 741 CB GLU A 48 56.249 7.564 -6.151 1.00 0.00 C ATOM 742 CG GLU A 48 55.391 7.039 -7.304 1.00 0.00 C ATOM 743 CD GLU A 48 53.934 7.451 -7.085 1.00 0.00 C ATOM 744 OE1 GLU A 48 53.373 7.057 -6.076 1.00 0.00 O ATOM 745 OE2 GLU A 48 53.403 8.153 -7.931 1.00 0.00 O ATOM 0 H GLU A 48 57.644 5.616 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 48 57.715 8.446 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 48 56.207 6.873 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 55.858 8.519 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 48 55.754 7.437 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 48 55.468 5.953 -7.364 1.00 0.00 H new ATOM 752 N LEU A 49 58.902 7.354 -4.554 1.00 0.00 N ATOM 753 CA LEU A 49 59.760 7.776 -3.415 1.00 0.00 C ATOM 754 C LEU A 49 61.195 7.916 -3.922 1.00 0.00 C ATOM 755 O LEU A 49 61.944 8.761 -3.477 1.00 0.00 O ATOM 756 CB LEU A 49 59.693 6.732 -2.296 1.00 0.00 C ATOM 757 CG LEU A 49 60.459 5.475 -2.707 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.886 5.546 -2.163 1.00 0.00 C ATOM 759 CD2 LEU A 49 59.755 4.247 -2.129 1.00 0.00 C ATOM 0 H LEU A 49 58.627 6.372 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 49 59.413 8.729 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 60.116 7.142 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 49 58.654 6.481 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 49 60.490 5.404 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.432 4.649 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.387 6.425 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 49 61.858 5.614 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 49 60.297 3.347 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 49 59.729 4.321 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 49 58.736 4.197 -2.514 1.00 0.00 H new ATOM 771 N THR A 50 61.573 7.105 -4.877 1.00 0.00 N ATOM 772 CA THR A 50 62.946 7.202 -5.441 1.00 0.00 C ATOM 773 C THR A 50 63.078 8.569 -6.115 1.00 0.00 C ATOM 774 O THR A 50 64.069 9.257 -5.974 1.00 0.00 O ATOM 775 CB THR A 50 63.160 6.051 -6.452 1.00 0.00 C ATOM 776 OG1 THR A 50 64.327 5.327 -6.093 1.00 0.00 O ATOM 777 CG2 THR A 50 63.318 6.581 -7.886 1.00 0.00 C ATOM 0 H THR A 50 60.986 6.380 -5.289 1.00 0.00 H new ATOM 0 HA THR A 50 63.705 7.110 -4.664 1.00 0.00 H new ATOM 0 HB THR A 50 62.282 5.405 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 50 64.911 5.897 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 50 63.467 5.744 -8.569 1.00 0.00 H new ATOM 0 HG22 THR A 50 62.420 7.128 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 50 64.180 7.247 -7.935 1.00 0.00 H new ATOM 785 N ARG A 51 62.066 8.964 -6.837 1.00 0.00 N ATOM 786 CA ARG A 51 62.097 10.285 -7.514 1.00 0.00 C ATOM 787 C ARG A 51 62.100 11.376 -6.446 1.00 0.00 C ATOM 788 O ARG A 51 62.587 12.470 -6.655 1.00 0.00 O ATOM 789 CB ARG A 51 60.851 10.429 -8.390 1.00 0.00 C ATOM 790 CG ARG A 51 61.152 9.914 -9.798 1.00 0.00 C ATOM 791 CD ARG A 51 61.834 11.023 -10.600 1.00 0.00 C ATOM 792 NE ARG A 51 61.877 10.644 -12.041 1.00 0.00 N ATOM 793 CZ ARG A 51 61.168 11.311 -12.912 1.00 0.00 C ATOM 794 NH1 ARG A 51 59.916 11.582 -12.663 1.00 0.00 N ATOM 795 NH2 ARG A 51 61.711 11.707 -14.031 1.00 0.00 N ATOM 0 H ARG A 51 61.215 8.423 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 51 62.987 10.372 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 51 60.022 9.869 -7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 51 60.542 11.474 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 51 61.796 9.036 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 51 60.230 9.606 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 61.292 11.961 -10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 51 62.845 11.187 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 51 62.460 9.864 -12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 51 59.491 11.273 -11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 51 59.362 12.103 -13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 51 62.690 11.496 -14.226 1.00 0.00 H new ATOM 0 HH22 ARG A 51 61.157 12.228 -14.711 1.00 0.00 H new ATOM 809 N TYR A 52 61.558 11.079 -5.297 1.00 0.00 N ATOM 810 CA TYR A 52 61.523 12.085 -4.203 1.00 0.00 C ATOM 811 C TYR A 52 62.946 12.332 -3.697 1.00 0.00 C ATOM 812 O TYR A 52 63.466 13.425 -3.797 1.00 0.00 O ATOM 813 CB TYR A 52 60.654 11.556 -3.059 1.00 0.00 C ATOM 814 CG TYR A 52 60.794 12.456 -1.854 1.00 0.00 C ATOM 815 CD1 TYR A 52 60.484 13.818 -1.958 1.00 0.00 C ATOM 816 CD2 TYR A 52 61.229 11.928 -0.633 1.00 0.00 C ATOM 817 CE1 TYR A 52 60.610 14.651 -0.839 1.00 0.00 C ATOM 818 CE2 TYR A 52 61.356 12.761 0.485 1.00 0.00 C ATOM 819 CZ TYR A 52 61.046 14.122 0.382 1.00 0.00 C ATOM 820 OH TYR A 52 61.169 14.943 1.484 1.00 0.00 O ATOM 0 H TYR A 52 61.137 10.178 -5.070 1.00 0.00 H new ATOM 0 HA TYR A 52 61.104 13.020 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 52 59.611 11.512 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 52 60.953 10.540 -2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 52 60.148 14.225 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 52 61.467 10.878 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 52 60.371 15.701 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 52 61.693 12.354 1.427 1.00 0.00 H new ATOM 0 HH TYR A 52 60.515 15.670 1.425 1.00 0.00 H new ATOM 830 N LEU A 53 63.584 11.325 -3.159 1.00 0.00 N ATOM 831 CA LEU A 53 64.975 11.518 -2.656 1.00 0.00 C ATOM 832 C LEU A 53 65.837 12.109 -3.773 1.00 0.00 C ATOM 833 O LEU A 53 66.475 13.130 -3.605 1.00 0.00 O ATOM 834 CB LEU A 53 65.566 10.172 -2.228 1.00 0.00 C ATOM 835 CG LEU A 53 64.509 9.347 -1.495 1.00 0.00 C ATOM 836 CD1 LEU A 53 64.147 8.123 -2.336 1.00 0.00 C ATOM 837 CD2 LEU A 53 65.070 8.886 -0.149 1.00 0.00 C ATOM 0 H LEU A 53 63.205 10.385 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 53 64.957 12.193 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 65.922 9.627 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 53 66.427 10.333 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 53 63.619 9.956 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 63.393 7.533 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 63.752 8.447 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 53 65.037 7.515 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 64.318 8.297 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 65.958 8.276 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 53 65.334 9.756 0.452 1.00 0.00 H new ATOM 849 N GLY A 54 65.863 11.471 -4.911 1.00 0.00 N ATOM 850 CA GLY A 54 66.685 11.988 -6.041 1.00 0.00 C ATOM 851 C GLY A 54 67.405 10.820 -6.719 1.00 0.00 C ATOM 852 O GLY A 54 66.967 9.690 -6.631 1.00 0.00 O ATOM 0 H GLY A 54 65.349 10.612 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 54 66.050 12.506 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 54 67.411 12.714 -5.675 1.00 0.00 H new ATOM 856 N PRO A 55 68.492 11.130 -7.377 1.00 0.00 N ATOM 857 CA PRO A 55 69.305 10.125 -8.085 1.00 0.00 C ATOM 858 C PRO A 55 70.179 9.349 -7.094 1.00 0.00 C ATOM 859 O PRO A 55 70.844 8.397 -7.452 1.00 0.00 O ATOM 860 CB PRO A 55 70.168 10.964 -9.031 1.00 0.00 C ATOM 861 CG PRO A 55 70.220 12.388 -8.426 1.00 0.00 C ATOM 862 CD PRO A 55 69.012 12.509 -7.478 1.00 0.00 C ATOM 0 HA PRO A 55 68.706 9.380 -8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 55 71.169 10.543 -9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 55 69.740 10.983 -10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 55 71.154 12.545 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 55 70.174 13.144 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 55 69.308 12.896 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 55 68.260 13.190 -7.876 1.00 0.00 H new ATOM 870 N ALA A 56 70.186 9.750 -5.851 1.00 0.00 N ATOM 871 CA ALA A 56 71.019 9.036 -4.842 1.00 0.00 C ATOM 872 C ALA A 56 70.315 7.748 -4.416 1.00 0.00 C ATOM 873 O ALA A 56 70.938 6.812 -3.955 1.00 0.00 O ATOM 874 CB ALA A 56 71.223 9.934 -3.620 1.00 0.00 C ATOM 0 H ALA A 56 69.651 10.541 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 56 71.987 8.792 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 71.832 9.412 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 56 71.727 10.852 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.255 10.179 -3.183 1.00 0.00 H new ATOM 880 N CYS A 57 69.021 7.691 -4.566 1.00 0.00 N ATOM 881 CA CYS A 57 68.280 6.463 -4.167 1.00 0.00 C ATOM 882 C CYS A 57 67.370 6.020 -5.313 1.00 0.00 C ATOM 883 O CYS A 57 66.282 6.531 -5.488 1.00 0.00 O ATOM 884 CB CYS A 57 67.433 6.763 -2.930 1.00 0.00 C ATOM 885 SG CYS A 57 68.520 7.098 -1.522 1.00 0.00 S ATOM 0 H CYS A 57 68.445 8.442 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 57 68.989 5.667 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 57 66.788 7.621 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.782 5.917 -2.708 1.00 0.00 H new ATOM 0 HG CYS A 57 67.815 7.146 -0.431 1.00 0.00 H new ATOM 891 N ASP A 58 67.806 5.072 -6.097 1.00 0.00 N ATOM 892 CA ASP A 58 66.966 4.599 -7.231 1.00 0.00 C ATOM 893 C ASP A 58 66.132 3.397 -6.782 1.00 0.00 C ATOM 894 O ASP A 58 66.549 2.615 -5.951 1.00 0.00 O ATOM 895 CB ASP A 58 67.868 4.186 -8.396 1.00 0.00 C ATOM 896 CG ASP A 58 67.542 5.040 -9.622 1.00 0.00 C ATOM 897 OD1 ASP A 58 66.435 4.927 -10.122 1.00 0.00 O ATOM 898 OD2 ASP A 58 68.405 5.794 -10.041 1.00 0.00 O ATOM 0 H ASP A 58 68.708 4.605 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 58 66.303 5.402 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.915 4.311 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.723 3.130 -8.626 1.00 0.00 H new ATOM 903 N LEU A 59 64.957 3.246 -7.327 1.00 0.00 N ATOM 904 CA LEU A 59 64.093 2.100 -6.937 1.00 0.00 C ATOM 905 C LEU A 59 63.424 1.527 -8.187 1.00 0.00 C ATOM 906 O LEU A 59 62.454 0.799 -8.108 1.00 0.00 O ATOM 907 CB LEU A 59 63.024 2.584 -5.958 1.00 0.00 C ATOM 908 CG LEU A 59 63.549 2.448 -4.530 1.00 0.00 C ATOM 909 CD1 LEU A 59 63.915 3.829 -3.984 1.00 0.00 C ATOM 910 CD2 LEU A 59 62.468 1.821 -3.648 1.00 0.00 C ATOM 0 H LEU A 59 64.558 3.870 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 59 64.696 1.327 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 59 62.767 3.623 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 59 62.112 2.000 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 59 64.435 1.813 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 59 64.289 3.730 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 59 64.686 4.276 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 63.031 4.467 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.841 1.723 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 59 61.582 2.456 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.209 0.836 -4.035 1.00 0.00 H new ATOM 922 N THR A 60 63.937 1.853 -9.340 1.00 0.00 N ATOM 923 CA THR A 60 63.339 1.334 -10.601 1.00 0.00 C ATOM 924 C THR A 60 63.161 -0.182 -10.498 1.00 0.00 C ATOM 925 O THR A 60 62.101 -0.712 -10.769 1.00 0.00 O ATOM 926 CB THR A 60 64.267 1.663 -11.772 1.00 0.00 C ATOM 927 OG1 THR A 60 64.806 2.966 -11.595 1.00 0.00 O ATOM 928 CG2 THR A 60 63.481 1.607 -13.082 1.00 0.00 C ATOM 0 H THR A 60 64.748 2.459 -9.464 1.00 0.00 H new ATOM 0 HA THR A 60 62.367 1.800 -10.763 1.00 0.00 H new ATOM 0 HB THR A 60 65.078 0.936 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 60 65.402 3.178 -12.343 1.00 0.00 H new ATOM 0 HG21 THR A 60 64.144 1.842 -13.915 1.00 0.00 H new ATOM 0 HG22 THR A 60 63.069 0.607 -13.217 1.00 0.00 H new ATOM 0 HG23 THR A 60 62.668 2.333 -13.050 1.00 0.00 H new ATOM 936 N LEU A 61 64.192 -0.885 -10.113 1.00 0.00 N ATOM 937 CA LEU A 61 64.085 -2.367 -9.999 1.00 0.00 C ATOM 938 C LEU A 61 63.896 -2.758 -8.534 1.00 0.00 C ATOM 939 O LEU A 61 63.994 -3.914 -8.173 1.00 0.00 O ATOM 940 CB LEU A 61 65.367 -3.009 -10.528 1.00 0.00 C ATOM 941 CG LEU A 61 65.375 -2.944 -12.054 1.00 0.00 C ATOM 942 CD1 LEU A 61 64.251 -3.821 -12.605 1.00 0.00 C ATOM 943 CD2 LEU A 61 65.159 -1.497 -12.507 1.00 0.00 C ATOM 0 H LEU A 61 65.104 -0.496 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 61 63.231 -2.713 -10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 66.238 -2.492 -10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 61 65.431 -4.046 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 61 66.335 -3.302 -12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 61 64.255 -3.776 -13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 61 64.403 -4.851 -12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 63.292 -3.462 -12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 61 65.165 -1.452 -13.596 1.00 0.00 H new ATOM 0 HD22 LEU A 61 64.200 -1.138 -12.134 1.00 0.00 H new ATOM 0 HD23 LEU A 61 65.959 -0.869 -12.114 1.00 0.00 H new ATOM 955 N PHE A 62 63.632 -1.806 -7.686 1.00 0.00 N ATOM 956 CA PHE A 62 63.444 -2.129 -6.247 1.00 0.00 C ATOM 957 C PHE A 62 62.150 -2.919 -6.058 1.00 0.00 C ATOM 958 O PHE A 62 61.097 -2.529 -6.523 1.00 0.00 O ATOM 959 CB PHE A 62 63.370 -0.834 -5.439 1.00 0.00 C ATOM 960 CG PHE A 62 62.952 -1.156 -4.027 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.875 -1.717 -3.139 1.00 0.00 C ATOM 962 CD2 PHE A 62 61.641 -0.901 -3.607 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.490 -2.022 -1.830 1.00 0.00 C ATOM 964 CE2 PHE A 62 61.254 -1.206 -2.297 1.00 0.00 C ATOM 965 CZ PHE A 62 62.179 -1.767 -1.408 1.00 0.00 C ATOM 0 H PHE A 62 63.538 -0.819 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 62 64.286 -2.729 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 62 64.339 -0.335 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 62 62.657 -0.147 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.886 -1.915 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 62 60.928 -0.469 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 62 64.204 -2.454 -1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 62 60.243 -1.009 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.882 -2.003 -0.397 1.00 0.00 H new ATOM 975 N ASP A 63 62.219 -4.024 -5.368 1.00 0.00 N ATOM 976 CA ASP A 63 60.994 -4.836 -5.138 1.00 0.00 C ATOM 977 C ASP A 63 60.220 -4.245 -3.960 1.00 0.00 C ATOM 978 O ASP A 63 60.590 -4.420 -2.816 1.00 0.00 O ATOM 979 CB ASP A 63 61.386 -6.282 -4.821 1.00 0.00 C ATOM 980 CG ASP A 63 60.399 -7.239 -5.492 1.00 0.00 C ATOM 981 OD1 ASP A 63 59.745 -6.822 -6.434 1.00 0.00 O ATOM 982 OD2 ASP A 63 60.313 -8.374 -5.052 1.00 0.00 O ATOM 0 H ASP A 63 63.072 -4.399 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 63 60.371 -4.823 -6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 63 62.398 -6.481 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 63 61.387 -6.441 -3.743 1.00 0.00 H new ATOM 987 N PHE A 64 59.154 -3.539 -4.224 1.00 0.00 N ATOM 988 CA PHE A 64 58.374 -2.937 -3.108 1.00 0.00 C ATOM 989 C PHE A 64 57.719 -4.054 -2.295 1.00 0.00 C ATOM 990 O PHE A 64 56.514 -4.211 -2.282 1.00 0.00 O ATOM 991 CB PHE A 64 57.300 -2.002 -3.667 1.00 0.00 C ATOM 992 CG PHE A 64 57.243 -0.757 -2.816 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.280 0.180 -2.887 1.00 0.00 C ATOM 994 CD2 PHE A 64 56.162 -0.540 -1.953 1.00 0.00 C ATOM 995 CE1 PHE A 64 58.237 1.333 -2.097 1.00 0.00 C ATOM 996 CE2 PHE A 64 56.120 0.616 -1.162 1.00 0.00 C ATOM 997 CZ PHE A 64 57.158 1.552 -1.234 1.00 0.00 C ATOM 0 H PHE A 64 58.792 -3.354 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 64 59.041 -2.361 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 64 57.528 -1.742 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 64 56.331 -2.501 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 64 59.114 0.013 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 64 55.361 -1.263 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 64 59.038 2.055 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 64 55.286 0.785 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 64 57.126 2.443 -0.624 1.00 0.00 H new ATOM 1007 N LYS A 65 58.516 -4.831 -1.618 1.00 0.00 N ATOM 1008 CA LYS A 65 57.972 -5.948 -0.798 1.00 0.00 C ATOM 1009 C LYS A 65 59.141 -6.801 -0.309 1.00 0.00 C ATOM 1010 O LYS A 65 59.113 -7.360 0.770 1.00 0.00 O ATOM 1011 CB LYS A 65 57.029 -6.805 -1.646 1.00 0.00 C ATOM 1012 CG LYS A 65 56.689 -8.090 -0.888 1.00 0.00 C ATOM 1013 CD LYS A 65 57.622 -9.214 -1.343 1.00 0.00 C ATOM 1014 CE LYS A 65 57.131 -9.777 -2.677 1.00 0.00 C ATOM 1015 NZ LYS A 65 58.234 -9.709 -3.676 1.00 0.00 N ATOM 0 H LYS A 65 59.532 -4.739 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 65 57.415 -5.550 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 65 56.118 -6.250 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 65 57.498 -7.046 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 56.792 -7.930 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 65 55.651 -8.368 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 65 58.639 -8.836 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 65 57.651 -10.003 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 65 56.802 -10.809 -2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 65 56.270 -9.209 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 57.854 -9.896 -4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 58.663 -8.762 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 58.956 -10.421 -3.445 1.00 0.00 H new ATOM 1029 N GLN A 66 60.178 -6.891 -1.098 1.00 0.00 N ATOM 1030 CA GLN A 66 61.367 -7.691 -0.691 1.00 0.00 C ATOM 1031 C GLN A 66 62.391 -6.755 -0.048 1.00 0.00 C ATOM 1032 O GLN A 66 62.936 -7.038 1.001 1.00 0.00 O ATOM 1033 CB GLN A 66 61.983 -8.355 -1.924 1.00 0.00 C ATOM 1034 CG GLN A 66 62.676 -9.656 -1.515 1.00 0.00 C ATOM 1035 CD GLN A 66 63.035 -10.456 -2.769 1.00 0.00 C ATOM 1036 OE1 GLN A 66 62.481 -10.230 -3.826 1.00 0.00 O ATOM 1037 NE2 GLN A 66 63.944 -11.389 -2.696 1.00 0.00 N ATOM 0 H GLN A 66 60.252 -6.442 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 66 61.071 -8.463 0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 66 61.209 -8.561 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 66 62.700 -7.681 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 66 63.576 -9.437 -0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 66 62.021 -10.243 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 66 64.410 -11.579 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 66 64.189 -11.928 -3.526 1.00 0.00 H new ATOM 1046 N GLY A 67 62.647 -5.632 -0.665 1.00 0.00 N ATOM 1047 CA GLY A 67 63.625 -4.668 -0.087 1.00 0.00 C ATOM 1048 C GLY A 67 64.945 -4.723 -0.861 1.00 0.00 C ATOM 1049 O GLY A 67 66.001 -4.481 -0.311 1.00 0.00 O ATOM 0 H GLY A 67 62.220 -5.342 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 63.216 -3.658 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 67 63.801 -4.903 0.963 1.00 0.00 H new ATOM 1053 N ILE A 68 64.905 -5.035 -2.130 1.00 0.00 N ATOM 1054 CA ILE A 68 66.176 -5.093 -2.911 1.00 0.00 C ATOM 1055 C ILE A 68 65.958 -4.520 -4.315 1.00 0.00 C ATOM 1056 O ILE A 68 64.843 -4.400 -4.782 1.00 0.00 O ATOM 1057 CB ILE A 68 66.646 -6.546 -3.014 1.00 0.00 C ATOM 1058 CG1 ILE A 68 65.624 -7.362 -3.808 1.00 0.00 C ATOM 1059 CG2 ILE A 68 66.787 -7.137 -1.610 1.00 0.00 C ATOM 1060 CD1 ILE A 68 66.283 -7.916 -5.073 1.00 0.00 C ATOM 0 H ILE A 68 64.057 -5.250 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 68 66.935 -4.500 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 68 67.610 -6.578 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 68 65.242 -8.180 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 68 64.771 -6.737 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 68 67.122 -8.172 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 68 67.517 -6.559 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 68 65.823 -7.102 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 68 65.554 -8.497 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 68 66.643 -7.091 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 68 67.121 -8.555 -4.796 1.00 0.00 H new ATOM 1072 N LEU A 69 67.020 -4.166 -4.991 1.00 0.00 N ATOM 1073 CA LEU A 69 66.886 -3.601 -6.364 1.00 0.00 C ATOM 1074 C LEU A 69 68.149 -3.920 -7.170 1.00 0.00 C ATOM 1075 O LEU A 69 69.169 -4.289 -6.624 1.00 0.00 O ATOM 1076 CB LEU A 69 66.716 -2.082 -6.280 1.00 0.00 C ATOM 1077 CG LEU A 69 67.973 -1.463 -5.668 1.00 0.00 C ATOM 1078 CD1 LEU A 69 68.117 -0.016 -6.142 1.00 0.00 C ATOM 1079 CD2 LEU A 69 67.857 -1.490 -4.143 1.00 0.00 C ATOM 0 H LEU A 69 67.978 -4.245 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 69 66.015 -4.040 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 69 66.541 -1.669 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 69 65.844 -1.836 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 69 68.848 -2.033 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.014 0.423 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.196 0.005 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 67.244 0.557 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.751 -1.050 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.981 -0.919 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.756 -2.521 -3.804 1.00 0.00 H new ATOM 1091 N CYS A 70 68.090 -3.775 -8.466 1.00 0.00 N ATOM 1092 CA CYS A 70 69.287 -4.063 -9.305 1.00 0.00 C ATOM 1093 C CYS A 70 69.192 -3.269 -10.610 1.00 0.00 C ATOM 1094 O CYS A 70 68.364 -3.545 -11.455 1.00 0.00 O ATOM 1095 CB CYS A 70 69.344 -5.560 -9.618 1.00 0.00 C ATOM 1096 SG CYS A 70 67.721 -6.117 -10.192 1.00 0.00 S ATOM 0 H CYS A 70 67.264 -3.469 -8.980 1.00 0.00 H new ATOM 0 HA CYS A 70 70.189 -3.773 -8.767 1.00 0.00 H new ATOM 0 HB2 CYS A 70 70.098 -5.755 -10.381 1.00 0.00 H new ATOM 0 HB3 CYS A 70 69.638 -6.118 -8.729 1.00 0.00 H new ATOM 0 HG CYS A 70 67.278 -5.300 -11.101 1.00 0.00 H new ATOM 1102 N TYR A 71 70.029 -2.281 -10.779 1.00 0.00 N ATOM 1103 CA TYR A 71 69.979 -1.468 -12.027 1.00 0.00 C ATOM 1104 C TYR A 71 71.404 -1.136 -12.483 1.00 0.00 C ATOM 1105 O TYR A 71 71.869 -0.028 -12.302 1.00 0.00 O ATOM 1106 CB TYR A 71 69.216 -0.169 -11.756 1.00 0.00 C ATOM 1107 CG TYR A 71 69.327 0.744 -12.953 1.00 0.00 C ATOM 1108 CD1 TYR A 71 69.125 0.238 -14.242 1.00 0.00 C ATOM 1109 CD2 TYR A 71 69.628 2.100 -12.773 1.00 0.00 C ATOM 1110 CE1 TYR A 71 69.225 1.086 -15.351 1.00 0.00 C ATOM 1111 CE2 TYR A 71 69.727 2.948 -13.882 1.00 0.00 C ATOM 1112 CZ TYR A 71 69.526 2.441 -15.171 1.00 0.00 C ATOM 1113 OH TYR A 71 69.624 3.278 -16.265 1.00 0.00 O ATOM 0 H TYR A 71 70.744 -2.002 -10.107 1.00 0.00 H new ATOM 0 HA TYR A 71 69.472 -2.034 -12.808 1.00 0.00 H new ATOM 0 HB2 TYR A 71 68.168 -0.387 -11.549 1.00 0.00 H new ATOM 0 HB3 TYR A 71 69.620 0.324 -10.872 1.00 0.00 H new ATOM 0 HD1 TYR A 71 68.892 -0.807 -14.381 1.00 0.00 H new ATOM 0 HD2 TYR A 71 69.784 2.491 -11.778 1.00 0.00 H new ATOM 0 HE1 TYR A 71 69.070 0.695 -16.346 1.00 0.00 H new ATOM 0 HE2 TYR A 71 69.959 3.994 -13.743 1.00 0.00 H new ATOM 0 HH TYR A 71 69.838 4.186 -15.964 1.00 0.00 H new ATOM 1123 N PRO A 72 72.053 -2.112 -13.067 1.00 0.00 N ATOM 1124 CA PRO A 72 73.429 -1.961 -13.569 1.00 0.00 C ATOM 1125 C PRO A 72 73.423 -1.232 -14.916 1.00 0.00 C ATOM 1126 O PRO A 72 72.399 -1.109 -15.560 1.00 0.00 O ATOM 1127 CB PRO A 72 73.913 -3.404 -13.730 1.00 0.00 C ATOM 1128 CG PRO A 72 72.642 -4.279 -13.861 1.00 0.00 C ATOM 1129 CD PRO A 72 71.476 -3.455 -13.280 1.00 0.00 C ATOM 0 HA PRO A 72 74.068 -1.376 -12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 72 74.547 -3.505 -14.611 1.00 0.00 H new ATOM 0 HB3 PRO A 72 74.510 -3.712 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 72 72.454 -4.534 -14.904 1.00 0.00 H new ATOM 0 HG3 PRO A 72 72.761 -5.217 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 72 70.631 -3.421 -13.967 1.00 0.00 H new ATOM 0 HD3 PRO A 72 71.111 -3.884 -12.347 1.00 0.00 H new ATOM 1137 N ALA A 73 74.554 -0.745 -15.347 1.00 0.00 N ATOM 1138 CA ALA A 73 74.602 -0.025 -16.651 1.00 0.00 C ATOM 1139 C ALA A 73 75.772 -0.554 -17.486 1.00 0.00 C ATOM 1140 O ALA A 73 76.703 -1.124 -16.954 1.00 0.00 O ATOM 1141 CB ALA A 73 74.791 1.472 -16.398 1.00 0.00 C ATOM 0 H ALA A 73 75.445 -0.814 -14.854 1.00 0.00 H new ATOM 0 HA ALA A 73 73.669 -0.189 -17.191 1.00 0.00 H new ATOM 0 HB1 ALA A 73 74.826 2.000 -17.351 1.00 0.00 H new ATOM 0 HB2 ALA A 73 73.958 1.849 -15.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 75.724 1.635 -15.858 1.00 0.00 H new ATOM 1147 N PRO A 74 75.686 -0.342 -18.775 1.00 0.00 N ATOM 1148 CA PRO A 74 76.726 -0.780 -19.722 1.00 0.00 C ATOM 1149 C PRO A 74 77.916 0.183 -19.679 1.00 0.00 C ATOM 1150 O PRO A 74 78.953 -0.119 -19.123 1.00 0.00 O ATOM 1151 CB PRO A 74 76.023 -0.721 -21.081 1.00 0.00 C ATOM 1152 CG PRO A 74 74.842 0.266 -20.917 1.00 0.00 C ATOM 1153 CD PRO A 74 74.546 0.353 -19.408 1.00 0.00 C ATOM 0 HA PRO A 74 77.124 -1.770 -19.500 1.00 0.00 H new ATOM 0 HB2 PRO A 74 76.708 -0.382 -21.858 1.00 0.00 H new ATOM 0 HB3 PRO A 74 75.667 -1.708 -21.378 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.098 1.246 -21.319 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.966 -0.084 -21.464 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.476 1.388 -19.075 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.599 -0.127 -19.159 1.00 0.00 H new ATOM 1161 N LYS A 75 77.772 1.342 -20.260 1.00 0.00 N ATOM 1162 CA LYS A 75 78.890 2.326 -20.250 1.00 0.00 C ATOM 1163 C LYS A 75 80.084 1.752 -21.014 1.00 0.00 C ATOM 1164 O LYS A 75 81.176 2.270 -20.843 1.00 0.00 O ATOM 1165 CB LYS A 75 79.301 2.613 -18.804 1.00 0.00 C ATOM 1166 CG LYS A 75 79.055 4.088 -18.486 1.00 0.00 C ATOM 1167 CD LYS A 75 79.856 4.484 -17.245 1.00 0.00 C ATOM 1168 CE LYS A 75 79.216 3.861 -16.002 1.00 0.00 C ATOM 1169 NZ LYS A 75 78.736 4.943 -15.097 1.00 0.00 N ATOM 1170 OXT LYS A 75 79.888 0.803 -21.755 1.00 0.00 O ATOM 0 H LYS A 75 76.927 1.650 -20.742 1.00 0.00 H new ATOM 0 HA LYS A 75 78.565 3.250 -20.728 1.00 0.00 H new ATOM 0 HB2 LYS A 75 78.731 1.983 -18.121 1.00 0.00 H new ATOM 0 HB3 LYS A 75 80.354 2.370 -18.659 1.00 0.00 H new ATOM 0 HG2 LYS A 75 79.348 4.707 -19.334 1.00 0.00 H new ATOM 0 HG3 LYS A 75 77.992 4.262 -18.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 80.888 4.147 -17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 75 79.883 5.569 -17.148 1.00 0.00 H new ATOM 0 HE2 LYS A 75 78.385 3.218 -16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 75 79.940 3.232 -15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 78.301 4.521 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 79.539 5.539 -14.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 78.032 5.525 -15.595 1.00 0.00 H new TER 1184 LYS A 75