USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 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 NoAdj-H: A1129 DA2 HXT : A1129 DA2 OXT : A1129 DA2 C :(short bond) USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.686 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.47 X(o=-2.2,f=-2.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -134:sc= 0.473 USER MOD Single : A 68 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.79!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 72 SER OG : rot 45:sc= 0.107 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.14) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc=-0.00812 (180deg=-0.0863) USER MOD Single : A 79 CYS SG : rot -14:sc= -0.429 USER MOD Single : A 80 MET CE :methyl 153:sc= -0.263 (180deg=-1.03) USER MOD Single : A 84 SER OG : rot 37:sc= 1.23 USER MOD Single : A 88 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.049) USER MOD Single : A 89 CYS SG : rot 31:sc= 0.0694 USER MOD Single : A 90 TYR OH : rot -1:sc= 0.72 USER MOD Single : A 101 ASN : amide:sc= 1.21 K(o=1.2,f=-0.16) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 111 TYR OH : rot -135:sc= 0.00626 USER MOD Single : A 113 ASN : amide:sc= 1.26 K(o=1.3,f=-1.2) USER MOD Single : A 123 LYS NZ :NH3+ 172:sc=-0.00815 (180deg=-0.0998) USER MOD Single : A1129 DA2 NH2 :NH3+ -91:sc= -0.517 (180deg=-4.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 18.819 -4.163 -1.269 1.00 0.00 N ATOM 2 CA ALA A 65 19.805 -4.870 -2.079 1.00 0.00 C ATOM 3 C ALA A 65 19.316 -5.068 -3.518 1.00 0.00 C ATOM 4 O ALA A 65 19.740 -4.354 -4.425 1.00 0.00 O ATOM 5 CB ALA A 65 20.176 -6.208 -1.449 1.00 0.00 C ATOM 0 HA ALA A 65 20.700 -4.248 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.912 -6.713 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.596 -6.039 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.285 -6.830 -1.364 1.00 0.00 H new ATOM 13 N SER A 66 18.401 -6.000 -3.726 1.00 0.00 N ATOM 14 CA SER A 66 17.952 -6.320 -5.070 1.00 0.00 C ATOM 15 C SER A 66 16.727 -5.487 -5.457 1.00 0.00 C ATOM 16 O SER A 66 16.671 -4.891 -6.538 1.00 0.00 O ATOM 17 CB SER A 66 17.632 -7.807 -5.145 1.00 0.00 C ATOM 18 OG SER A 66 18.710 -8.572 -4.615 1.00 0.00 O ATOM 0 H SER A 66 17.957 -6.545 -2.987 1.00 0.00 H new ATOM 0 HA SER A 66 18.747 -6.080 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 66 16.719 -8.018 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 66 17.448 -8.094 -6.180 1.00 0.00 H new ATOM 0 HG SER A 66 18.491 -9.526 -4.667 1.00 0.00 H new ATOM 24 N THR A 67 15.777 -5.425 -4.566 1.00 0.00 N ATOM 25 CA THR A 67 14.555 -4.718 -4.806 1.00 0.00 C ATOM 26 C THR A 67 14.551 -3.430 -4.005 1.00 0.00 C ATOM 27 O THR A 67 14.384 -3.430 -2.787 1.00 0.00 O ATOM 28 CB THR A 67 13.301 -5.621 -4.530 1.00 0.00 C ATOM 29 OG1 THR A 67 12.074 -4.865 -4.503 1.00 0.00 O ATOM 30 CG2 THR A 67 13.462 -6.426 -3.257 1.00 0.00 C ATOM 0 H THR A 67 15.831 -5.867 -3.648 1.00 0.00 H new ATOM 0 HA THR A 67 14.492 -4.452 -5.861 1.00 0.00 H new ATOM 0 HB THR A 67 13.235 -6.317 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.541 -5.135 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.574 -7.039 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.337 -7.070 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.590 -5.749 -2.412 1.00 0.00 H new ATOM 38 N GLN A 68 14.812 -2.356 -4.685 1.00 0.00 N ATOM 39 CA GLN A 68 14.912 -1.070 -4.061 1.00 0.00 C ATOM 40 C GLN A 68 13.584 -0.338 -4.143 1.00 0.00 C ATOM 41 O GLN A 68 12.831 -0.520 -5.114 1.00 0.00 O ATOM 42 CB GLN A 68 16.013 -0.240 -4.721 1.00 0.00 C ATOM 43 CG GLN A 68 17.411 -0.833 -4.606 1.00 0.00 C ATOM 44 CD GLN A 68 17.826 -1.088 -3.172 1.00 0.00 C ATOM 45 OE1 GLN A 68 17.620 -2.173 -2.644 1.00 0.00 O ATOM 46 NE2 GLN A 68 18.383 -0.100 -2.525 1.00 0.00 N ATOM 0 H GLN A 68 14.963 -2.346 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 68 15.167 -1.215 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.772 -0.115 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.017 0.754 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.450 -1.769 -5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 68 18.127 -0.156 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.541 0.792 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.660 -0.220 -1.551 1.00 0.00 H new ATOM 55 N PRO A 69 13.241 0.454 -3.113 1.00 0.00 N ATOM 56 CA PRO A 69 12.024 1.265 -3.114 1.00 0.00 C ATOM 57 C PRO A 69 12.029 2.265 -4.252 1.00 0.00 C ATOM 58 O PRO A 69 13.013 2.962 -4.480 1.00 0.00 O ATOM 59 CB PRO A 69 12.106 2.015 -1.785 1.00 0.00 C ATOM 60 CG PRO A 69 12.920 1.131 -0.934 1.00 0.00 C ATOM 61 CD PRO A 69 13.977 0.595 -1.843 1.00 0.00 C ATOM 0 HA PRO A 69 11.124 0.662 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.571 2.994 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.117 2.182 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.357 1.678 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.319 0.327 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.822 1.277 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.373 -0.358 -1.492 1.00 0.00 H new ATOM 69 N THR A 70 10.937 2.346 -4.935 1.00 0.00 N ATOM 70 CA THR A 70 10.809 3.259 -6.050 1.00 0.00 C ATOM 71 C THR A 70 10.256 4.601 -5.568 1.00 0.00 C ATOM 72 O THR A 70 10.339 5.609 -6.263 1.00 0.00 O ATOM 73 CB THR A 70 9.888 2.654 -7.162 1.00 0.00 C ATOM 74 OG1 THR A 70 9.834 3.518 -8.319 1.00 0.00 O ATOM 75 CG2 THR A 70 8.470 2.421 -6.638 1.00 0.00 C ATOM 0 H THR A 70 10.104 1.789 -4.747 1.00 0.00 H new ATOM 0 HA THR A 70 11.797 3.420 -6.481 1.00 0.00 H new ATOM 0 HB THR A 70 10.321 1.697 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.254 3.117 -9.000 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.853 2.000 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.502 1.728 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.043 3.369 -6.310 1.00 0.00 H new ATOM 83 N HIS A 71 9.696 4.592 -4.387 1.00 0.00 N ATOM 84 CA HIS A 71 9.091 5.743 -3.801 1.00 0.00 C ATOM 85 C HIS A 71 9.423 5.687 -2.321 1.00 0.00 C ATOM 86 O HIS A 71 9.419 4.597 -1.744 1.00 0.00 O ATOM 87 CB HIS A 71 7.569 5.655 -4.034 1.00 0.00 C ATOM 88 CG HIS A 71 6.772 6.888 -3.712 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.843 7.428 -4.565 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.713 7.631 -2.586 1.00 0.00 C ATOM 91 CE1 HIS A 71 5.257 8.450 -3.949 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.749 8.622 -2.736 1.00 0.00 N ATOM 0 H HIS A 71 9.651 3.761 -3.798 1.00 0.00 H new ATOM 0 HA HIS A 71 9.448 6.679 -4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.397 5.401 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.179 4.830 -3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.320 7.479 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.479 9.060 -4.384 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.479 9.331 -2.054 1.00 0.00 H new ATOM 100 N SER A 72 9.745 6.805 -1.730 1.00 0.00 N ATOM 101 CA SER A 72 10.052 6.847 -0.329 1.00 0.00 C ATOM 102 C SER A 72 8.774 7.000 0.503 1.00 0.00 C ATOM 103 O SER A 72 8.162 8.082 0.560 1.00 0.00 O ATOM 104 CB SER A 72 11.052 7.969 -0.060 1.00 0.00 C ATOM 105 OG SER A 72 10.645 9.166 -0.702 1.00 0.00 O ATOM 0 H SER A 72 9.801 7.707 -2.204 1.00 0.00 H new ATOM 0 HA SER A 72 10.511 5.905 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.138 8.137 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.040 7.676 -0.417 1.00 0.00 H new ATOM 0 HG SER A 72 9.688 9.312 -0.546 1.00 0.00 H new ATOM 111 N TRP A 73 8.375 5.927 1.112 1.00 0.00 N ATOM 112 CA TRP A 73 7.176 5.874 1.914 1.00 0.00 C ATOM 113 C TRP A 73 7.519 5.842 3.381 1.00 0.00 C ATOM 114 O TRP A 73 8.618 5.420 3.746 1.00 0.00 O ATOM 115 CB TRP A 73 6.337 4.649 1.551 1.00 0.00 C ATOM 116 CG TRP A 73 5.670 4.746 0.216 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.990 4.076 -0.931 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.560 5.581 -0.103 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.126 4.442 -1.939 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.245 5.366 -1.453 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.799 6.490 0.632 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.200 6.025 -2.083 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.770 7.142 0.008 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.480 6.907 -1.336 1.00 0.00 C ATOM 0 H TRP A 73 8.879 5.041 1.069 1.00 0.00 H new ATOM 0 HA TRP A 73 6.594 6.772 1.708 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.976 3.766 1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.576 4.502 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.798 3.367 -1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.141 4.082 -2.893 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.017 6.676 1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.967 5.846 -3.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.173 7.849 0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.661 7.440 -1.797 1.00 0.00 H new ATOM 135 N LYS A 74 6.638 6.343 4.222 1.00 0.00 N ATOM 136 CA LYS A 74 6.850 6.258 5.649 1.00 0.00 C ATOM 137 C LYS A 74 5.624 5.636 6.322 1.00 0.00 C ATOM 138 O LYS A 74 4.537 5.597 5.744 1.00 0.00 O ATOM 139 CB LYS A 74 7.166 7.615 6.295 1.00 0.00 C ATOM 140 CG LYS A 74 5.968 8.516 6.443 1.00 0.00 C ATOM 141 CD LYS A 74 6.277 9.703 7.322 1.00 0.00 C ATOM 142 CE LYS A 74 5.005 10.405 7.734 1.00 0.00 C ATOM 143 NZ LYS A 74 4.325 11.089 6.605 1.00 0.00 N ATOM 0 H LYS A 74 5.775 6.810 3.943 1.00 0.00 H new ATOM 0 HA LYS A 74 7.725 5.626 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.604 7.445 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.920 8.125 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.648 8.863 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.138 7.953 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.821 9.375 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.926 10.398 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.323 9.678 8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.235 11.137 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.677 11.813 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.035 11.541 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.786 10.393 6.052 1.00 0.00 H new ATOM 157 N VAL A 75 5.828 5.112 7.503 1.00 0.00 N ATOM 158 CA VAL A 75 4.773 4.507 8.301 1.00 0.00 C ATOM 159 C VAL A 75 3.732 5.559 8.721 1.00 0.00 C ATOM 160 O VAL A 75 4.088 6.687 9.095 1.00 0.00 O ATOM 161 CB VAL A 75 5.357 3.776 9.552 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.253 3.253 10.457 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.265 2.621 9.122 1.00 0.00 C ATOM 0 H VAL A 75 6.744 5.089 7.952 1.00 0.00 H new ATOM 0 HA VAL A 75 4.275 3.762 7.681 1.00 0.00 H new ATOM 0 HB VAL A 75 5.942 4.504 10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.695 2.750 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.638 4.085 10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.633 2.548 9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.663 2.123 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.691 1.907 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.088 3.009 8.522 1.00 0.00 H new ATOM 173 N GLY A 76 2.469 5.198 8.649 1.00 0.00 N ATOM 174 CA GLY A 76 1.418 6.093 9.038 1.00 0.00 C ATOM 175 C GLY A 76 1.166 7.121 7.981 1.00 0.00 C ATOM 176 O GLY A 76 0.922 8.302 8.280 1.00 0.00 O ATOM 0 H GLY A 76 2.151 4.285 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.505 5.527 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.684 6.586 9.973 1.00 0.00 H new ATOM 180 N ASP A 77 1.239 6.694 6.746 1.00 0.00 N ATOM 181 CA ASP A 77 1.009 7.580 5.632 1.00 0.00 C ATOM 182 C ASP A 77 -0.117 7.040 4.824 1.00 0.00 C ATOM 183 O ASP A 77 -0.358 5.825 4.815 1.00 0.00 O ATOM 184 CB ASP A 77 2.202 7.648 4.712 1.00 0.00 C ATOM 185 CG ASP A 77 2.506 9.051 4.249 1.00 0.00 C ATOM 186 OD1 ASP A 77 1.675 9.681 3.582 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.583 9.571 4.574 1.00 0.00 O ATOM 0 H ASP A 77 1.457 5.732 6.485 1.00 0.00 H new ATOM 0 HA ASP A 77 0.803 8.571 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.074 7.243 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.021 7.015 3.843 1.00 0.00 H new ATOM 192 N LYS A 78 -0.776 7.902 4.142 1.00 0.00 N ATOM 193 CA LYS A 78 -1.837 7.540 3.283 1.00 0.00 C ATOM 194 C LYS A 78 -1.340 7.390 1.906 1.00 0.00 C ATOM 195 O LYS A 78 -0.576 8.217 1.408 1.00 0.00 O ATOM 196 CB LYS A 78 -2.942 8.555 3.343 1.00 0.00 C ATOM 197 CG LYS A 78 -3.716 8.475 4.616 1.00 0.00 C ATOM 198 CD LYS A 78 -4.632 7.266 4.612 1.00 0.00 C ATOM 199 CE LYS A 78 -5.340 7.088 5.932 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.166 8.258 6.306 1.00 0.00 N ATOM 0 H LYS A 78 -0.586 8.904 4.167 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.243 6.584 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.520 9.555 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.617 8.405 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.030 8.415 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.305 9.383 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.370 7.373 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.050 6.371 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.974 6.203 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.601 6.907 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.707 8.040 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.549 9.076 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.824 8.481 5.532 1.00 0.00 H new ATOM 214 N CYS A 79 -1.764 6.365 1.302 1.00 0.00 N ATOM 215 CA CYS A 79 -1.371 6.045 -0.021 1.00 0.00 C ATOM 216 C CYS A 79 -2.525 5.372 -0.689 1.00 0.00 C ATOM 217 O CYS A 79 -3.573 5.180 -0.070 1.00 0.00 O ATOM 218 CB CYS A 79 -0.170 5.103 0.032 1.00 0.00 C ATOM 219 SG CYS A 79 -0.455 3.620 1.032 1.00 0.00 S ATOM 0 H CYS A 79 -2.414 5.696 1.715 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.090 6.940 -0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.090 4.802 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.687 5.643 0.434 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.519 3.786 1.760 1.00 0.00 H new ATOM 225 N MET A 80 -2.385 5.059 -1.920 1.00 0.00 N ATOM 226 CA MET A 80 -3.367 4.287 -2.574 1.00 0.00 C ATOM 227 C MET A 80 -2.715 3.002 -2.949 1.00 0.00 C ATOM 228 O MET A 80 -1.632 3.004 -3.504 1.00 0.00 O ATOM 229 CB MET A 80 -3.950 4.989 -3.797 1.00 0.00 C ATOM 230 CG MET A 80 -4.484 6.389 -3.521 1.00 0.00 C ATOM 231 SD MET A 80 -5.677 6.931 -4.752 1.00 0.00 S ATOM 232 CE MET A 80 -7.013 5.771 -4.423 1.00 0.00 C ATOM 0 H MET A 80 -1.591 5.329 -2.500 1.00 0.00 H new ATOM 0 HA MET A 80 -4.215 4.124 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.181 5.051 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.757 4.378 -4.202 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.950 6.408 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.652 7.092 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.963 6.219 -4.714 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.851 4.858 -4.996 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.034 5.533 -3.360 1.00 0.00 H new ATOM 242 N ALA A 81 -3.342 1.935 -2.633 1.00 0.00 N ATOM 243 CA ALA A 81 -2.783 0.643 -2.849 1.00 0.00 C ATOM 244 C ALA A 81 -3.655 -0.136 -3.761 1.00 0.00 C ATOM 245 O ALA A 81 -4.861 0.091 -3.817 1.00 0.00 O ATOM 246 CB ALA A 81 -2.649 -0.087 -1.535 1.00 0.00 C ATOM 0 H ALA A 81 -4.271 1.926 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.797 0.756 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.221 -1.074 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.997 0.479 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.632 -0.194 -1.076 1.00 0.00 H new ATOM 252 N VAL A 82 -3.064 -1.027 -4.476 1.00 0.00 N ATOM 253 CA VAL A 82 -3.781 -1.881 -5.364 1.00 0.00 C ATOM 254 C VAL A 82 -4.294 -3.069 -4.590 1.00 0.00 C ATOM 255 O VAL A 82 -3.511 -3.863 -4.071 1.00 0.00 O ATOM 256 CB VAL A 82 -2.888 -2.332 -6.544 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.611 -3.331 -7.438 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.469 -1.117 -7.347 1.00 0.00 C ATOM 0 H VAL A 82 -2.057 -1.188 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.623 -1.335 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.006 -2.830 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.956 -3.627 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.883 -4.211 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.512 -2.871 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.839 -1.431 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.355 -0.612 -7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.911 -0.433 -6.708 1.00 0.00 H new ATOM 268 N TRP A 83 -5.601 -3.152 -4.488 1.00 0.00 N ATOM 269 CA TRP A 83 -6.266 -4.210 -3.786 1.00 0.00 C ATOM 270 C TRP A 83 -6.024 -5.470 -4.542 1.00 0.00 C ATOM 271 O TRP A 83 -6.327 -5.531 -5.719 1.00 0.00 O ATOM 272 CB TRP A 83 -7.770 -3.925 -3.744 1.00 0.00 C ATOM 273 CG TRP A 83 -8.562 -4.815 -2.844 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.103 -5.485 -1.768 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.968 -5.091 -2.917 1.00 0.00 C ATOM 276 NE1 TRP A 83 -9.119 -6.168 -1.173 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.278 -5.938 -1.853 1.00 0.00 C ATOM 278 CE3 TRP A 83 -10.985 -4.705 -3.775 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.565 -6.407 -1.623 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.265 -5.173 -3.554 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.542 -6.017 -2.484 1.00 0.00 C ATOM 0 H TRP A 83 -6.238 -2.470 -4.901 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.892 -4.292 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.919 -2.892 -3.429 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.168 -4.011 -4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.078 -5.480 -1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.027 -6.760 -0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.779 -4.047 -4.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.782 -7.059 -0.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.062 -4.880 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.552 -6.369 -2.334 1.00 0.00 H new ATOM 292 N SER A 84 -5.511 -6.461 -3.881 1.00 0.00 N ATOM 293 CA SER A 84 -5.200 -7.723 -4.500 1.00 0.00 C ATOM 294 C SER A 84 -6.428 -8.355 -5.149 1.00 0.00 C ATOM 295 O SER A 84 -6.344 -8.981 -6.211 1.00 0.00 O ATOM 296 CB SER A 84 -4.658 -8.667 -3.451 1.00 0.00 C ATOM 297 OG SER A 84 -3.377 -8.269 -2.967 1.00 0.00 O ATOM 0 H SER A 84 -5.292 -6.421 -2.886 1.00 0.00 H new ATOM 0 HA SER A 84 -4.461 -7.542 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.358 -8.719 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.588 -9.670 -3.871 1.00 0.00 H new ATOM 0 HG SER A 84 -3.335 -7.291 -2.917 1.00 0.00 H new ATOM 303 N GLU A 85 -7.564 -8.119 -4.545 1.00 0.00 N ATOM 304 CA GLU A 85 -8.782 -8.777 -4.955 1.00 0.00 C ATOM 305 C GLU A 85 -9.415 -8.158 -6.199 1.00 0.00 C ATOM 306 O GLU A 85 -9.860 -8.871 -7.090 1.00 0.00 O ATOM 307 CB GLU A 85 -9.774 -8.833 -3.805 1.00 0.00 C ATOM 308 CG GLU A 85 -9.240 -9.582 -2.588 1.00 0.00 C ATOM 309 CD GLU A 85 -10.305 -9.982 -1.581 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.629 -9.197 -0.665 1.00 0.00 O ATOM 311 OE2 GLU A 85 -10.806 -11.120 -1.664 1.00 0.00 O ATOM 0 H GLU A 85 -7.673 -7.473 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.506 -9.794 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.038 -7.817 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.690 -9.314 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.722 -10.479 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.500 -8.957 -2.088 1.00 0.00 H new ATOM 318 N ASP A 86 -9.430 -6.851 -6.277 1.00 0.00 N ATOM 319 CA ASP A 86 -10.094 -6.190 -7.415 1.00 0.00 C ATOM 320 C ASP A 86 -9.064 -5.641 -8.372 1.00 0.00 C ATOM 321 O ASP A 86 -9.360 -5.306 -9.515 1.00 0.00 O ATOM 322 CB ASP A 86 -10.956 -5.061 -6.887 1.00 0.00 C ATOM 323 CG ASP A 86 -11.941 -4.474 -7.859 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.288 -5.126 -8.857 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.457 -3.377 -7.578 1.00 0.00 O ATOM 0 H ASP A 86 -9.007 -6.222 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.712 -6.913 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.505 -5.425 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.301 -4.263 -6.538 1.00 0.00 H new ATOM 330 N GLY A 87 -7.841 -5.537 -7.896 1.00 0.00 N ATOM 331 CA GLY A 87 -6.746 -5.045 -8.732 1.00 0.00 C ATOM 332 C GLY A 87 -6.812 -3.544 -8.970 1.00 0.00 C ATOM 333 O GLY A 87 -6.055 -2.993 -9.769 1.00 0.00 O ATOM 0 H GLY A 87 -7.573 -5.782 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.795 -5.291 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.768 -5.561 -9.692 1.00 0.00 H new ATOM 337 N GLN A 88 -7.711 -2.883 -8.281 1.00 0.00 N ATOM 338 CA GLN A 88 -7.882 -1.452 -8.417 1.00 0.00 C ATOM 339 C GLN A 88 -7.212 -0.773 -7.248 1.00 0.00 C ATOM 340 O GLN A 88 -6.919 -1.429 -6.243 1.00 0.00 O ATOM 341 CB GLN A 88 -9.365 -1.082 -8.456 1.00 0.00 C ATOM 342 CG GLN A 88 -10.166 -1.765 -9.559 1.00 0.00 C ATOM 343 CD GLN A 88 -9.618 -1.508 -10.944 1.00 0.00 C ATOM 344 OE1 GLN A 88 -9.966 -0.527 -11.587 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.801 -2.394 -11.430 1.00 0.00 N ATOM 0 H GLN A 88 -8.345 -3.319 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.430 -1.123 -9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.813 -1.331 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.453 -0.002 -8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.181 -2.839 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.199 -1.420 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.530 -3.201 -10.868 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.430 -2.282 -12.374 1.00 0.00 H new ATOM 354 N CYS A 89 -6.975 0.505 -7.353 1.00 0.00 N ATOM 355 CA CYS A 89 -6.315 1.215 -6.284 1.00 0.00 C ATOM 356 C CYS A 89 -7.326 1.846 -5.334 1.00 0.00 C ATOM 357 O CYS A 89 -8.318 2.442 -5.766 1.00 0.00 O ATOM 358 CB CYS A 89 -5.353 2.257 -6.855 1.00 0.00 C ATOM 359 SG CYS A 89 -6.113 3.390 -8.034 1.00 0.00 S ATOM 0 H CYS A 89 -7.225 1.076 -8.160 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.733 0.500 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -4.930 2.834 -6.033 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.525 1.743 -7.343 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.361 3.571 -7.719 1.00 0.00 H new ATOM 365 N TYR A 90 -7.065 1.698 -4.061 1.00 0.00 N ATOM 366 CA TYR A 90 -7.901 2.204 -2.990 1.00 0.00 C ATOM 367 C TYR A 90 -7.030 2.871 -1.954 1.00 0.00 C ATOM 368 O TYR A 90 -5.841 2.584 -1.881 1.00 0.00 O ATOM 369 CB TYR A 90 -8.686 1.077 -2.341 1.00 0.00 C ATOM 370 CG TYR A 90 -9.719 0.431 -3.232 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.379 -0.606 -4.089 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.032 0.848 -3.196 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.322 -1.209 -4.891 1.00 0.00 C ATOM 374 CE2 TYR A 90 -11.990 0.252 -3.996 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.628 -0.782 -4.841 1.00 0.00 C ATOM 376 OH TYR A 90 -12.574 -1.361 -5.661 1.00 0.00 O ATOM 0 H TYR A 90 -6.237 1.206 -3.724 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.607 2.923 -3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.986 0.312 -2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.184 1.465 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.355 -0.947 -4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.317 1.652 -2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.038 -2.012 -5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.015 0.592 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.148 -2.041 -6.223 1.00 0.00 H new ATOM 386 N GLU A 91 -7.605 3.742 -1.170 1.00 0.00 N ATOM 387 CA GLU A 91 -6.864 4.503 -0.191 1.00 0.00 C ATOM 388 C GLU A 91 -6.516 3.616 0.992 1.00 0.00 C ATOM 389 O GLU A 91 -7.383 2.990 1.596 1.00 0.00 O ATOM 390 CB GLU A 91 -7.679 5.703 0.266 1.00 0.00 C ATOM 391 CG GLU A 91 -6.939 6.649 1.196 1.00 0.00 C ATOM 392 CD GLU A 91 -7.775 7.837 1.582 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.786 8.832 0.845 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.448 7.802 2.637 1.00 0.00 O ATOM 0 H GLU A 91 -8.604 3.947 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.941 4.865 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.007 6.259 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.577 5.346 0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.639 6.111 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.026 6.992 0.710 1.00 0.00 H new ATOM 401 N ALA A 92 -5.266 3.563 1.307 1.00 0.00 N ATOM 402 CA ALA A 92 -4.776 2.725 2.362 1.00 0.00 C ATOM 403 C ALA A 92 -3.706 3.431 3.146 1.00 0.00 C ATOM 404 O ALA A 92 -3.048 4.335 2.636 1.00 0.00 O ATOM 405 CB ALA A 92 -4.236 1.445 1.779 1.00 0.00 C ATOM 0 H ALA A 92 -4.542 4.106 0.836 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.598 2.494 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.864 0.808 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.030 0.926 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.423 1.674 1.090 1.00 0.00 H new ATOM 411 N GLU A 93 -3.545 3.048 4.371 1.00 0.00 N ATOM 412 CA GLU A 93 -2.542 3.621 5.213 1.00 0.00 C ATOM 413 C GLU A 93 -1.468 2.596 5.524 1.00 0.00 C ATOM 414 O GLU A 93 -1.770 1.440 5.799 1.00 0.00 O ATOM 415 CB GLU A 93 -3.162 4.191 6.485 1.00 0.00 C ATOM 416 CG GLU A 93 -2.151 4.806 7.423 1.00 0.00 C ATOM 417 CD GLU A 93 -2.782 5.605 8.528 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.064 6.800 8.321 1.00 0.00 O ATOM 419 OE2 GLU A 93 -3.006 5.061 9.629 1.00 0.00 O ATOM 0 H GLU A 93 -4.108 2.325 4.819 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.071 4.449 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.900 4.945 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.695 3.397 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.540 4.015 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.481 5.450 6.854 1.00 0.00 H new ATOM 426 N ILE A 94 -0.233 3.016 5.404 1.00 0.00 N ATOM 427 CA ILE A 94 0.925 2.184 5.667 1.00 0.00 C ATOM 428 C ILE A 94 1.095 1.925 7.146 1.00 0.00 C ATOM 429 O ILE A 94 1.255 2.853 7.940 1.00 0.00 O ATOM 430 CB ILE A 94 2.188 2.848 5.117 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.005 3.089 3.630 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.416 1.973 5.375 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.032 3.992 3.035 1.00 0.00 C ATOM 0 H ILE A 94 0.005 3.965 5.115 1.00 0.00 H new ATOM 0 HA ILE A 94 0.765 1.229 5.167 1.00 0.00 H new ATOM 0 HB ILE A 94 2.349 3.799 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.032 2.131 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.017 3.516 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.303 2.464 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.537 1.822 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.284 1.008 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.835 4.116 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.991 4.964 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.022 3.557 3.172 1.00 0.00 H new ATOM 445 N GLU A 95 1.101 0.673 7.481 1.00 0.00 N ATOM 446 CA GLU A 95 1.229 0.215 8.837 1.00 0.00 C ATOM 447 C GLU A 95 2.673 -0.148 9.136 1.00 0.00 C ATOM 448 O GLU A 95 3.199 0.150 10.203 1.00 0.00 O ATOM 449 CB GLU A 95 0.369 -1.017 8.995 1.00 0.00 C ATOM 450 CG GLU A 95 -1.088 -0.768 8.700 1.00 0.00 C ATOM 451 CD GLU A 95 -1.742 0.081 9.747 1.00 0.00 C ATOM 452 OE1 GLU A 95 -2.171 -0.472 10.784 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.844 1.297 9.576 1.00 0.00 O ATOM 0 H GLU A 95 1.015 -0.084 6.802 1.00 0.00 H new ATOM 0 HA GLU A 95 0.916 1.002 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.739 -1.798 8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.467 -1.392 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.182 -0.281 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.611 -1.722 8.630 1.00 0.00 H new ATOM 460 N GLU A 96 3.313 -0.779 8.180 1.00 0.00 N ATOM 461 CA GLU A 96 4.643 -1.270 8.341 1.00 0.00 C ATOM 462 C GLU A 96 5.320 -1.269 6.986 1.00 0.00 C ATOM 463 O GLU A 96 4.657 -1.467 5.975 1.00 0.00 O ATOM 464 CB GLU A 96 4.563 -2.698 8.888 1.00 0.00 C ATOM 465 CG GLU A 96 5.887 -3.402 8.992 1.00 0.00 C ATOM 466 CD GLU A 96 6.822 -2.765 9.999 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.540 -1.794 9.648 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.868 -3.223 11.159 1.00 0.00 O ATOM 0 H GLU A 96 2.912 -0.963 7.261 1.00 0.00 H new ATOM 0 HA GLU A 96 5.213 -0.647 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.103 -2.670 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.904 -3.283 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.718 -4.442 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.366 -3.408 8.013 1.00 0.00 H new ATOM 475 N ILE A 97 6.603 -1.032 6.962 1.00 0.00 N ATOM 476 CA ILE A 97 7.363 -1.031 5.724 1.00 0.00 C ATOM 477 C ILE A 97 8.484 -2.044 5.821 1.00 0.00 C ATOM 478 O ILE A 97 9.158 -2.135 6.850 1.00 0.00 O ATOM 479 CB ILE A 97 7.988 0.362 5.441 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.904 1.424 5.385 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.796 0.358 4.131 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.435 2.812 5.241 1.00 0.00 C ATOM 0 H ILE A 97 7.158 -0.833 7.794 1.00 0.00 H new ATOM 0 HA ILE A 97 6.679 -1.282 4.914 1.00 0.00 H new ATOM 0 HB ILE A 97 8.672 0.594 6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.239 1.209 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.303 1.366 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.220 1.348 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.600 -0.374 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.140 0.098 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.605 3.518 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.076 3.046 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.012 2.887 4.319 1.00 0.00 H new ATOM 494 N ASP A 98 8.668 -2.806 4.780 1.00 0.00 N ATOM 495 CA ASP A 98 9.763 -3.726 4.690 1.00 0.00 C ATOM 496 C ASP A 98 10.586 -3.341 3.487 1.00 0.00 C ATOM 497 O ASP A 98 10.258 -3.694 2.352 1.00 0.00 O ATOM 498 CB ASP A 98 9.282 -5.164 4.547 1.00 0.00 C ATOM 499 CG ASP A 98 10.437 -6.147 4.546 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.033 -6.386 3.490 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.767 -6.693 5.619 1.00 0.00 O ATOM 0 H ASP A 98 8.056 -2.805 3.964 1.00 0.00 H new ATOM 0 HA ASP A 98 10.353 -3.674 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.602 -5.403 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.716 -5.268 3.621 1.00 0.00 H new ATOM 506 N GLU A 99 11.602 -2.547 3.714 1.00 0.00 N ATOM 507 CA GLU A 99 12.452 -2.066 2.640 1.00 0.00 C ATOM 508 C GLU A 99 13.253 -3.180 1.971 1.00 0.00 C ATOM 509 O GLU A 99 13.709 -3.022 0.849 1.00 0.00 O ATOM 510 CB GLU A 99 13.365 -0.955 3.112 1.00 0.00 C ATOM 511 CG GLU A 99 14.254 -1.343 4.271 1.00 0.00 C ATOM 512 CD GLU A 99 15.180 -0.240 4.665 1.00 0.00 C ATOM 513 OE1 GLU A 99 16.290 -0.157 4.111 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.816 0.566 5.538 1.00 0.00 O ATOM 0 H GLU A 99 11.867 -2.214 4.641 1.00 0.00 H new ATOM 0 HA GLU A 99 11.781 -1.662 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.990 -0.634 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.758 -0.098 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.635 -1.618 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.836 -2.225 4.001 1.00 0.00 H new ATOM 521 N GLU A 100 13.404 -4.304 2.663 1.00 0.00 N ATOM 522 CA GLU A 100 14.148 -5.439 2.146 1.00 0.00 C ATOM 523 C GLU A 100 13.458 -5.989 0.912 1.00 0.00 C ATOM 524 O GLU A 100 14.095 -6.242 -0.105 1.00 0.00 O ATOM 525 CB GLU A 100 14.268 -6.537 3.212 1.00 0.00 C ATOM 526 CG GLU A 100 15.087 -7.750 2.780 1.00 0.00 C ATOM 527 CD GLU A 100 16.517 -7.396 2.453 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.330 -7.206 3.388 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.863 -7.280 1.259 1.00 0.00 O ATOM 0 H GLU A 100 13.014 -4.450 3.594 1.00 0.00 H new ATOM 0 HA GLU A 100 15.151 -5.105 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.720 -6.109 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.267 -6.869 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.074 -8.495 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.621 -8.207 1.907 1.00 0.00 H new ATOM 536 N ASN A 101 12.166 -6.157 0.997 1.00 0.00 N ATOM 537 CA ASN A 101 11.402 -6.648 -0.129 1.00 0.00 C ATOM 538 C ASN A 101 10.863 -5.495 -0.936 1.00 0.00 C ATOM 539 O ASN A 101 10.469 -5.656 -2.096 1.00 0.00 O ATOM 540 CB ASN A 101 10.255 -7.549 0.338 1.00 0.00 C ATOM 541 CG ASN A 101 10.726 -8.828 1.006 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.902 -9.859 0.359 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.964 -8.777 2.286 1.00 0.00 N ATOM 0 H ASN A 101 11.615 -5.962 1.833 1.00 0.00 H new ATOM 0 HA ASN A 101 12.066 -7.241 -0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.628 -6.994 1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.631 -7.804 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.305 -9.605 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.810 -7.909 2.799 1.00 0.00 H new ATOM 550 N GLY A 102 10.892 -4.325 -0.342 1.00 0.00 N ATOM 551 CA GLY A 102 10.332 -3.159 -0.973 1.00 0.00 C ATOM 552 C GLY A 102 8.829 -3.224 -0.919 1.00 0.00 C ATOM 553 O GLY A 102 8.135 -2.825 -1.851 1.00 0.00 O ATOM 0 H GLY A 102 11.299 -4.158 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.685 -2.258 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.666 -3.099 -2.009 1.00 0.00 H new ATOM 557 N THR A 103 8.325 -3.731 0.171 1.00 0.00 N ATOM 558 CA THR A 103 6.932 -3.928 0.335 1.00 0.00 C ATOM 559 C THR A 103 6.465 -3.246 1.599 1.00 0.00 C ATOM 560 O THR A 103 7.259 -2.977 2.499 1.00 0.00 O ATOM 561 CB THR A 103 6.604 -5.443 0.379 1.00 0.00 C ATOM 562 OG1 THR A 103 7.395 -6.083 1.392 1.00 0.00 O ATOM 563 CG2 THR A 103 6.911 -6.099 -0.955 1.00 0.00 C ATOM 0 H THR A 103 8.885 -4.019 0.973 1.00 0.00 H new ATOM 0 HA THR A 103 6.408 -3.490 -0.514 1.00 0.00 H new ATOM 0 HB THR A 103 5.542 -5.552 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.183 -7.039 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.673 -7.161 -0.901 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.312 -5.632 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.969 -5.975 -1.186 1.00 0.00 H new ATOM 571 N ALA A 104 5.224 -2.918 1.649 1.00 0.00 N ATOM 572 CA ALA A 104 4.663 -2.322 2.816 1.00 0.00 C ATOM 573 C ALA A 104 3.329 -2.938 3.125 1.00 0.00 C ATOM 574 O ALA A 104 2.607 -3.386 2.228 1.00 0.00 O ATOM 575 CB ALA A 104 4.530 -0.829 2.637 1.00 0.00 C ATOM 0 H ALA A 104 4.565 -3.054 0.883 1.00 0.00 H new ATOM 0 HA ALA A 104 5.333 -2.507 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.100 -0.391 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.514 -0.395 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.880 -0.621 1.787 1.00 0.00 H new ATOM 581 N ALA A 105 3.022 -2.988 4.377 1.00 0.00 N ATOM 582 CA ALA A 105 1.765 -3.475 4.824 1.00 0.00 C ATOM 583 C ALA A 105 0.882 -2.306 5.001 1.00 0.00 C ATOM 584 O ALA A 105 1.239 -1.351 5.695 1.00 0.00 O ATOM 585 CB ALA A 105 1.903 -4.238 6.110 1.00 0.00 C ATOM 0 H ALA A 105 3.646 -2.688 5.126 1.00 0.00 H new ATOM 0 HA ALA A 105 1.347 -4.167 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.924 -4.598 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.570 -5.087 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.315 -3.584 6.879 1.00 0.00 H new ATOM 591 N ILE A 106 -0.220 -2.348 4.363 1.00 0.00 N ATOM 592 CA ILE A 106 -1.129 -1.256 4.363 1.00 0.00 C ATOM 593 C ILE A 106 -2.508 -1.711 4.779 1.00 0.00 C ATOM 594 O ILE A 106 -2.856 -2.888 4.621 1.00 0.00 O ATOM 595 CB ILE A 106 -1.156 -0.549 2.960 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.426 -1.529 1.816 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.120 0.223 2.694 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.871 -1.847 1.592 1.00 0.00 C ATOM 0 H ILE A 106 -0.529 -3.151 3.815 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.786 -0.523 5.093 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.986 0.157 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.012 -1.115 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.891 -2.457 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.061 0.697 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.249 0.988 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.970 -0.460 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.965 -2.548 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.289 -2.294 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.413 -0.931 1.356 1.00 0.00 H new ATOM 610 N THR A 107 -3.259 -0.804 5.297 1.00 0.00 N ATOM 611 CA THR A 107 -4.609 -1.054 5.697 1.00 0.00 C ATOM 612 C THR A 107 -5.524 -0.094 4.945 1.00 0.00 C ATOM 613 O THR A 107 -5.366 1.123 5.033 1.00 0.00 O ATOM 614 CB THR A 107 -4.770 -0.903 7.238 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.923 -1.864 7.902 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.215 -1.127 7.681 1.00 0.00 C ATOM 0 H THR A 107 -2.950 0.154 5.460 1.00 0.00 H new ATOM 0 HA THR A 107 -4.883 -2.080 5.450 1.00 0.00 H new ATOM 0 HB THR A 107 -4.485 0.114 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.021 -1.771 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.286 -1.013 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.862 -0.396 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.530 -2.132 7.401 1.00 0.00 H new ATOM 624 N PHE A 108 -6.437 -0.651 4.180 1.00 0.00 N ATOM 625 CA PHE A 108 -7.361 0.109 3.369 1.00 0.00 C ATOM 626 C PHE A 108 -8.317 0.878 4.240 1.00 0.00 C ATOM 627 O PHE A 108 -9.101 0.283 5.007 1.00 0.00 O ATOM 628 CB PHE A 108 -8.117 -0.808 2.425 1.00 0.00 C ATOM 629 CG PHE A 108 -7.236 -1.502 1.429 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.820 -0.840 0.287 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.839 -2.819 1.619 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.029 -1.470 -0.645 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.047 -3.453 0.693 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.640 -2.776 -0.443 1.00 0.00 C ATOM 0 H PHE A 108 -6.560 -1.661 4.103 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.792 0.822 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.651 -1.557 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.868 -0.226 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.120 0.185 0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.156 -3.350 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.714 -0.942 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.743 -4.477 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.017 -3.272 -1.172 1.00 0.00 H new ATOM 644 N ALA A 109 -8.261 2.181 4.099 1.00 0.00 N ATOM 645 CA ALA A 109 -9.012 3.102 4.906 1.00 0.00 C ATOM 646 C ALA A 109 -10.491 2.954 4.655 1.00 0.00 C ATOM 647 O ALA A 109 -10.940 2.896 3.504 1.00 0.00 O ATOM 648 CB ALA A 109 -8.562 4.524 4.623 1.00 0.00 C ATOM 0 H ALA A 109 -7.675 2.638 3.400 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.826 2.875 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.136 5.217 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.502 4.624 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.724 4.754 3.570 1.00 0.00 H new ATOM 654 N GLY A 110 -11.230 2.819 5.712 1.00 0.00 N ATOM 655 CA GLY A 110 -12.647 2.705 5.618 1.00 0.00 C ATOM 656 C GLY A 110 -13.094 1.275 5.675 1.00 0.00 C ATOM 657 O GLY A 110 -14.042 0.941 6.381 1.00 0.00 O ATOM 0 H GLY A 110 -10.865 2.785 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.112 3.264 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.987 3.156 4.686 1.00 0.00 H new ATOM 661 N TYR A 111 -12.418 0.423 4.942 1.00 0.00 N ATOM 662 CA TYR A 111 -12.769 -0.983 4.906 1.00 0.00 C ATOM 663 C TYR A 111 -12.179 -1.722 6.086 1.00 0.00 C ATOM 664 O TYR A 111 -12.848 -2.546 6.711 1.00 0.00 O ATOM 665 CB TYR A 111 -12.293 -1.618 3.615 1.00 0.00 C ATOM 666 CG TYR A 111 -12.741 -0.875 2.397 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.008 -1.051 1.889 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.884 0.000 1.750 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.421 -0.381 0.767 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.277 0.679 0.632 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.552 0.488 0.137 1.00 0.00 C ATOM 672 OH TYR A 111 -13.958 1.163 -0.989 1.00 0.00 O ATOM 0 H TYR A 111 -11.619 0.676 4.360 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.855 -1.054 4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.204 -1.670 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.660 -2.643 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.688 -1.729 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.887 0.148 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.418 -0.531 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.597 1.359 0.140 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.248 1.130 -1.664 1.00 0.00 H new ATOM 682 N GLY A 112 -10.933 -1.427 6.391 1.00 0.00 N ATOM 683 CA GLY A 112 -10.276 -2.084 7.489 1.00 0.00 C ATOM 684 C GLY A 112 -9.516 -3.320 7.058 1.00 0.00 C ATOM 685 O GLY A 112 -9.073 -4.104 7.899 1.00 0.00 O ATOM 0 H GLY A 112 -10.363 -0.742 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.587 -1.386 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -11.018 -2.361 8.238 1.00 0.00 H new ATOM 689 N ASN A 113 -9.372 -3.512 5.759 1.00 0.00 N ATOM 690 CA ASN A 113 -8.623 -4.658 5.238 1.00 0.00 C ATOM 691 C ASN A 113 -7.172 -4.330 5.191 1.00 0.00 C ATOM 692 O ASN A 113 -6.812 -3.168 5.110 1.00 0.00 O ATOM 693 CB ASN A 113 -9.060 -5.082 3.839 1.00 0.00 C ATOM 694 CG ASN A 113 -10.424 -5.699 3.767 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.328 -5.356 4.520 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.585 -6.609 2.861 1.00 0.00 N ATOM 0 H ASN A 113 -9.759 -2.897 5.043 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.826 -5.487 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -9.036 -4.209 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.333 -5.794 3.447 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.489 -7.068 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.807 -6.867 2.253 1.00 0.00 H new ATOM 703 N ALA A 114 -6.348 -5.322 5.204 1.00 0.00 N ATOM 704 CA ALA A 114 -4.920 -5.108 5.213 1.00 0.00 C ATOM 705 C ALA A 114 -4.223 -6.129 4.362 1.00 0.00 C ATOM 706 O ALA A 114 -4.609 -7.304 4.354 1.00 0.00 O ATOM 707 CB ALA A 114 -4.386 -5.167 6.628 1.00 0.00 C ATOM 0 H ALA A 114 -6.631 -6.302 5.209 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.724 -4.118 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.308 -5.004 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.864 -4.394 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.600 -6.146 7.057 1.00 0.00 H new ATOM 713 N GLU A 115 -3.214 -5.696 3.644 1.00 0.00 N ATOM 714 CA GLU A 115 -2.437 -6.579 2.814 1.00 0.00 C ATOM 715 C GLU A 115 -1.017 -6.045 2.672 1.00 0.00 C ATOM 716 O GLU A 115 -0.761 -4.854 2.920 1.00 0.00 O ATOM 717 CB GLU A 115 -3.093 -6.774 1.432 1.00 0.00 C ATOM 718 CG GLU A 115 -3.193 -5.535 0.561 1.00 0.00 C ATOM 719 CD GLU A 115 -3.728 -5.892 -0.830 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.943 -6.138 -0.997 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.919 -5.993 -1.774 1.00 0.00 O ATOM 0 H GLU A 115 -2.911 -4.722 3.620 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.398 -7.556 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.529 -7.532 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.097 -7.171 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.851 -4.805 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.212 -5.068 0.470 1.00 0.00 H new ATOM 728 N VAL A 116 -0.100 -6.919 2.324 1.00 0.00 N ATOM 729 CA VAL A 116 1.272 -6.540 2.079 1.00 0.00 C ATOM 730 C VAL A 116 1.431 -6.332 0.587 1.00 0.00 C ATOM 731 O VAL A 116 1.258 -7.265 -0.204 1.00 0.00 O ATOM 732 CB VAL A 116 2.277 -7.617 2.581 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.721 -7.197 2.301 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.085 -7.867 4.068 1.00 0.00 C ATOM 0 H VAL A 116 -0.285 -7.915 2.203 1.00 0.00 H new ATOM 0 HA VAL A 116 1.495 -5.626 2.630 1.00 0.00 H new ATOM 0 HB VAL A 116 2.079 -8.540 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.401 -7.968 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.860 -7.065 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.933 -6.258 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.795 -8.623 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.253 -6.941 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.069 -8.217 4.250 1.00 0.00 H new ATOM 744 N THR A 117 1.729 -5.137 0.211 1.00 0.00 N ATOM 745 CA THR A 117 1.802 -4.753 -1.170 1.00 0.00 C ATOM 746 C THR A 117 3.122 -4.020 -1.423 1.00 0.00 C ATOM 747 O THR A 117 3.629 -3.323 -0.539 1.00 0.00 O ATOM 748 CB THR A 117 0.562 -3.880 -1.565 1.00 0.00 C ATOM 749 OG1 THR A 117 0.515 -3.649 -2.980 1.00 0.00 O ATOM 750 CG2 THR A 117 0.575 -2.556 -0.843 1.00 0.00 C ATOM 0 H THR A 117 1.934 -4.379 0.862 1.00 0.00 H new ATOM 0 HA THR A 117 1.779 -5.642 -1.800 1.00 0.00 H new ATOM 0 HB THR A 117 -0.326 -4.438 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.270 -3.103 -3.196 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.297 -1.972 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.550 -2.728 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.482 -2.009 -1.102 1.00 0.00 H new ATOM 758 N PRO A 118 3.755 -4.250 -2.574 1.00 0.00 N ATOM 759 CA PRO A 118 5.007 -3.602 -2.910 1.00 0.00 C ATOM 760 C PRO A 118 4.828 -2.095 -3.036 1.00 0.00 C ATOM 761 O PRO A 118 3.770 -1.613 -3.468 1.00 0.00 O ATOM 762 CB PRO A 118 5.389 -4.215 -4.256 1.00 0.00 C ATOM 763 CG PRO A 118 4.108 -4.671 -4.831 1.00 0.00 C ATOM 764 CD PRO A 118 3.265 -5.094 -3.666 1.00 0.00 C ATOM 0 HA PRO A 118 5.770 -3.749 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.876 -3.484 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.086 -5.044 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.625 -3.872 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.263 -5.499 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.204 -4.931 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.389 -6.154 -3.443 1.00 0.00 H new ATOM 772 N LEU A 119 5.852 -1.364 -2.663 1.00 0.00 N ATOM 773 CA LEU A 119 5.872 0.108 -2.712 1.00 0.00 C ATOM 774 C LEU A 119 5.548 0.636 -4.104 1.00 0.00 C ATOM 775 O LEU A 119 5.072 1.758 -4.256 1.00 0.00 O ATOM 776 CB LEU A 119 7.231 0.641 -2.264 1.00 0.00 C ATOM 777 CG LEU A 119 7.715 0.160 -0.898 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.041 0.783 -0.555 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.698 0.444 0.181 1.00 0.00 C ATOM 0 H LEU A 119 6.719 -1.768 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 119 5.100 0.461 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.974 0.362 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.187 1.730 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 119 7.844 -0.921 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.368 0.427 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.779 0.506 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.938 1.868 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.076 0.088 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.518 1.518 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.765 -0.069 -0.054 1.00 0.00 H new ATOM 791 N LEU A 120 5.828 -0.178 -5.113 1.00 0.00 N ATOM 792 CA LEU A 120 5.548 0.170 -6.497 1.00 0.00 C ATOM 793 C LEU A 120 4.038 0.284 -6.742 1.00 0.00 C ATOM 794 O LEU A 120 3.593 1.032 -7.618 1.00 0.00 O ATOM 795 CB LEU A 120 6.209 -0.856 -7.458 1.00 0.00 C ATOM 796 CG LEU A 120 5.571 -2.254 -7.591 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.489 -2.257 -8.656 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.621 -3.302 -7.892 1.00 0.00 C ATOM 0 H LEU A 120 6.255 -1.097 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 120 5.982 1.148 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.238 -0.409 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.242 -0.992 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 120 5.108 -2.503 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.055 -3.254 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.712 -1.542 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.923 -1.977 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.145 -4.279 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.123 -3.056 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.352 -3.327 -7.084 1.00 0.00 H new ATOM 810 N ASN A 121 3.261 -0.441 -5.946 1.00 0.00 N ATOM 811 CA ASN A 121 1.807 -0.468 -6.092 1.00 0.00 C ATOM 812 C ASN A 121 1.177 0.612 -5.293 1.00 0.00 C ATOM 813 O ASN A 121 -0.012 0.895 -5.435 1.00 0.00 O ATOM 814 CB ASN A 121 1.218 -1.816 -5.690 1.00 0.00 C ATOM 815 CG ASN A 121 1.301 -2.852 -6.779 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.263 -2.542 -7.975 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.378 -4.085 -6.388 1.00 0.00 N ATOM 0 H ASN A 121 3.615 -1.023 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 121 1.592 -0.307 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.741 -2.184 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.174 -1.679 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.409 -4.837 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.407 -4.303 -5.392 1.00 0.00 H new ATOM 824 N LEU A 122 1.955 1.196 -4.431 1.00 0.00 N ATOM 825 CA LEU A 122 1.488 2.290 -3.654 1.00 0.00 C ATOM 826 C LEU A 122 1.603 3.546 -4.474 1.00 0.00 C ATOM 827 O LEU A 122 2.667 3.871 -5.009 1.00 0.00 O ATOM 828 CB LEU A 122 2.291 2.417 -2.363 1.00 0.00 C ATOM 829 CG LEU A 122 2.250 1.209 -1.435 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.066 1.454 -0.188 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.828 0.877 -1.068 1.00 0.00 C ATOM 0 H LEU A 122 2.922 0.926 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 122 0.446 2.124 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.331 2.617 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.926 3.285 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 122 2.685 0.362 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.019 0.576 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.103 1.647 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.666 2.317 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.816 0.012 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.375 1.729 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.263 0.649 -1.972 1.00 0.00 H new ATOM 843 N LYS A 123 0.523 4.226 -4.578 1.00 0.00 N ATOM 844 CA LYS A 123 0.427 5.443 -5.325 1.00 0.00 C ATOM 845 C LYS A 123 0.157 6.552 -4.346 1.00 0.00 C ATOM 846 O LYS A 123 -0.467 6.306 -3.315 1.00 0.00 O ATOM 847 CB LYS A 123 -0.738 5.343 -6.319 1.00 0.00 C ATOM 848 CG LYS A 123 -0.669 4.136 -7.243 1.00 0.00 C ATOM 849 CD LYS A 123 -1.926 3.991 -8.099 1.00 0.00 C ATOM 850 CE LYS A 123 -2.151 5.181 -9.029 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.021 5.394 -9.960 1.00 0.00 N ATOM 0 H LYS A 123 -0.353 3.950 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 123 1.347 5.631 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.674 5.307 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.763 6.249 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.202 4.227 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.530 3.233 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.852 3.080 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.792 3.876 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.065 5.023 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.301 6.081 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.278 6.123 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.185 5.705 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.805 4.504 -10.453 1.00 0.00 H new ATOM 865 N PRO A 124 0.622 7.759 -4.602 1.00 0.00 N ATOM 866 CA PRO A 124 0.354 8.869 -3.719 1.00 0.00 C ATOM 867 C PRO A 124 -1.107 9.284 -3.787 1.00 0.00 C ATOM 868 O PRO A 124 -1.759 9.135 -4.838 1.00 0.00 O ATOM 869 CB PRO A 124 1.265 9.987 -4.241 1.00 0.00 C ATOM 870 CG PRO A 124 1.496 9.649 -5.674 1.00 0.00 C ATOM 871 CD PRO A 124 1.456 8.148 -5.758 1.00 0.00 C ATOM 0 HA PRO A 124 0.544 8.625 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.793 10.964 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.203 10.025 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.730 10.096 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.457 10.033 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.021 7.810 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.455 7.716 -5.696 1.00 0.00 H new ATOM 879 N VAL A 125 -1.635 9.736 -2.673 1.00 0.00 N ATOM 880 CA VAL A 125 -2.962 10.289 -2.636 1.00 0.00 C ATOM 881 C VAL A 125 -2.838 11.643 -3.297 1.00 0.00 C ATOM 882 O VAL A 125 -2.331 12.592 -2.693 1.00 0.00 O ATOM 883 CB VAL A 125 -3.489 10.456 -1.178 1.00 0.00 C ATOM 884 CG1 VAL A 125 -4.893 11.050 -1.168 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.480 9.125 -0.443 1.00 0.00 C ATOM 0 H VAL A 125 -1.156 9.729 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.671 9.631 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.819 11.144 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.236 11.156 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.877 12.029 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.571 10.391 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.852 9.267 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -4.120 8.415 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.462 8.737 -0.405 1.00 0.00 H new ATOM 895 N GLU A 126 -3.194 11.702 -4.545 1.00 0.00 N ATOM 896 CA GLU A 126 -2.959 12.870 -5.331 1.00 0.00 C ATOM 897 C GLU A 126 -3.868 14.021 -5.006 1.00 0.00 C ATOM 898 O GLU A 126 -5.038 14.045 -5.382 1.00 0.00 O ATOM 899 CB GLU A 126 -2.964 12.554 -6.808 1.00 0.00 C ATOM 900 CG GLU A 126 -1.790 11.709 -7.257 1.00 0.00 C ATOM 901 CD GLU A 126 -1.837 11.421 -8.726 1.00 0.00 C ATOM 902 OE1 GLU A 126 -2.066 12.362 -9.515 1.00 0.00 O ATOM 903 OE2 GLU A 126 -1.696 10.237 -9.129 1.00 0.00 O ATOM 0 H GLU A 126 -3.655 10.941 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.959 13.208 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -3.889 12.034 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -2.963 13.488 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.860 12.224 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.786 10.770 -6.703 1.00 0.00 H new ATOM 910 N GLU A 127 -3.328 14.940 -4.259 1.00 0.00 N ATOM 911 CA GLU A 127 -3.974 16.202 -3.959 1.00 0.00 C ATOM 912 C GLU A 127 -3.060 17.304 -4.478 1.00 0.00 C ATOM 913 O GLU A 127 -3.224 18.497 -4.191 1.00 0.00 O ATOM 914 CB GLU A 127 -4.192 16.357 -2.454 1.00 0.00 C ATOM 915 CG GLU A 127 -5.065 15.288 -1.821 1.00 0.00 C ATOM 916 CD GLU A 127 -5.265 15.533 -0.352 1.00 0.00 C ATOM 917 OE1 GLU A 127 -4.398 15.136 0.456 1.00 0.00 O ATOM 918 OE2 GLU A 127 -6.284 16.160 0.029 1.00 0.00 O ATOM 0 H GLU A 127 -2.409 14.839 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.954 16.252 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.221 16.353 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.642 17.332 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.033 15.265 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.607 14.310 -1.968 1.00 0.00 H new ATOM 925 N GLY A 128 -2.116 16.870 -5.263 1.00 0.00 N ATOM 926 CA GLY A 128 -1.109 17.689 -5.825 1.00 0.00 C ATOM 927 C GLY A 128 -0.049 16.779 -6.349 1.00 0.00 C ATOM 928 O GLY A 128 1.130 17.150 -6.375 1.00 0.00 O ATOM 929 OXT GLY A 128 -0.391 15.610 -6.691 1.00 0.00 O ATOM 0 H GLY A 128 -2.034 15.890 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.517 18.307 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.700 18.366 -5.075 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 C1 DA2 A1129 -9.754 -1.993 -0.918 1.00 0.00 C HETATM 935 C2 DA2 A1129 -10.187 -3.543 0.997 1.00 0.00 C HETATM 936 N DA2 A1129 -15.271 -6.353 3.965 1.00 0.00 N HETATM 937 CA DA2 A1129 -15.116 -6.447 2.525 1.00 0.00 C HETATM 938 CB DA2 A1129 -14.507 -5.183 1.951 1.00 0.00 C HETATM 939 CG DA2 A1129 -14.626 -5.144 0.447 1.00 0.00 C HETATM 940 CD DA2 A1129 -14.117 -3.868 -0.133 1.00 0.00 C HETATM 941 NE DA2 A1129 -12.717 -3.667 0.156 1.00 0.00 N HETATM 942 CZ DA2 A1129 -11.912 -2.916 -0.534 1.00 0.00 C HETATM 943 NH2 DA2 A1129 -12.331 -2.260 -1.588 1.00 0.00 N HETATM 944 NH1 DA2 A1129 -10.671 -2.819 -0.169 1.00 0.00 N HETATM 945 C DA2 A1129 -14.249 -7.626 2.201 1.00 0.00 C HETATM 946 O DA2 A1129 -14.707 -8.533 1.496 1.00 0.00 O HETATM 947 OXT DA2 A1129 -13.109 -7.684 2.702 1.00 0.00 O HETATM 0 HNH2 DA2 A1129 -12.201 -2.835 -2.421 1.00 0.00 H new HETATM 0 HCG2 DA2 A1129 -14.072 -5.980 0.020 1.00 0.00 H new HETATM 0 HCG1 DA2 A1129 -15.670 -5.277 0.165 1.00 0.00 H new HETATM 0 HCD2 DA2 A1129 -14.268 -3.874 -1.213 1.00 0.00 H new HETATM 0 HCD1 DA2 A1129 -14.694 -3.033 0.265 1.00 0.00 H new HETATM 0 HCB2 DA2 A1129 -15.004 -4.312 2.379 1.00 0.00 H new HETATM 0 HCB1 DA2 A1129 -13.456 -5.123 2.235 1.00 0.00 H new HETATM 0 HC23 DA2 A1129 -9.392 -4.225 0.697 1.00 0.00 H new HETATM 0 HC22 DA2 A1129 -9.800 -2.835 1.730 1.00 0.00 H new HETATM 0 HC21 DA2 A1129 -11.006 -4.111 1.438 1.00 0.00 H new HETATM 0 HC13 DA2 A1129 -9.348 -1.218 -0.268 1.00 0.00 H new HETATM 0 HC12 DA2 A1129 -8.940 -2.608 -1.301 1.00 0.00 H new HETATM 0 HC11 DA2 A1129 -10.281 -1.528 -1.752 1.00 0.00 H new HETATM 0 HNE DA2 A1129 -12.330 -4.152 0.965 1.00 0.00 H new HETATM 0 HN2 DA2 A1129 -15.670 -7.133 4.487 1.00 0.00 H new HETATM 0 HN1 DA2 A1129 -14.981 -5.507 4.455 1.00 0.00 H new HETATM 0 HCA DA2 A1129 -16.101 -6.573 2.077 1.00 0.00 H new