USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 946 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 852 ASN : amide:sc= -0.479! C(o=0.11!,f=-5.8!) USER MOD Set 1.2: A 855 LYS NZ :NH3+ -140:sc= 0.679 (180deg=-0.00414) USER MOD Set 1.3: A 907 ASN : amide:sc= -0.0863 K(o=0.11,f=-7.5!) USER MOD Set 2.1: A 902 ASN : amide:sc= 0.0254 K(o=-0.12,f=-0.85) USER MOD Set 2.2: A 906 GLN : amide:sc= -0.145 K(o=-0.12,f=-0.68) USER MOD Set 3.1: A 833 THR OG1 : rot -163:sc= 0.647 USER MOD Set 3.2: A 867 THR OG1 : rot 70:sc= 0.0921 USER MOD Single : A 786 THR OG1 : rot 77:sc= 0.525 USER MOD Single : A 788 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 790 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 798 TYR OH : rot 55:sc= -1.73! USER MOD Single : A 800 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.32) USER MOD Single : A 802 THR OG1 : rot -5:sc= -0.914 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 97:sc= 1.3 USER MOD Single : A 809 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 811 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.8!) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 77:sc= 0.952 USER MOD Single : A 816 MET CE :methyl -133:sc= -0.863 (180deg=-2.89!) USER MOD Single : A 822 MET CE :methyl 148:sc= -0.107 (180deg=-0.632) USER MOD Single : A 825 GLN : amide:sc= 0.905 K(o=0.91,f=-2.5!) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 834 SER OG : rot 79:sc= 1.25 USER MOD Single : A 838 ASN : amide:sc= 1.18 K(o=1.2,f=-0.1) USER MOD Single : A 841 LYS NZ :NH3+ 165:sc= -0.0807 (180deg=-0.319) USER MOD Single : A 848 SER OG : rot 180:sc= 0 USER MOD Single : A 853 SER OG : rot 71:sc= 1.17 USER MOD Single : A 858 SER OG : rot 22:sc= 0.664 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 171:sc= 0.971 (180deg=0.93) USER MOD Single : A 870 MET CE :methyl 169:sc= -0.127 (180deg=-0.249) USER MOD Single : A 875 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 883 SER OG : rot -170:sc= -0.0196 USER MOD Single : A 886 GLN : amide:sc= -2.55 K(o=-2.5,f=-0.55) USER MOD Single : A 887 GLN : amide:sc= -0.0802 K(o=-0.08,f=-0.82) USER MOD Single : A 888 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.11) USER MOD Single : A 899 MET CE :methyl 145:sc= -0.223 (180deg=-0.945) USER MOD Single : A 901 THR OG1 : rot 76:sc= 0.246 USER MOD Single : A 910 LYS NZ :NH3+ -157:sc= -1.17! (180deg=-3.23!) USER MOD Single : A 911 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 781 7.383 -11.937 24.047 1.00 0.00 N ATOM 2 CA GLY A 781 8.813 -11.786 24.405 1.00 0.00 C ATOM 3 C GLY A 781 9.205 -10.333 24.530 1.00 0.00 C ATOM 4 O GLY A 781 8.656 -9.478 23.837 1.00 0.00 O ATOM 0 HA2 GLY A 781 9.009 -12.298 25.347 1.00 0.00 H new ATOM 0 HA3 GLY A 781 9.431 -12.266 23.646 1.00 0.00 H new ATOM 10 N ILE A 782 10.164 -10.051 25.402 1.00 0.00 N ATOM 11 CA ILE A 782 10.553 -8.676 25.691 1.00 0.00 C ATOM 12 C ILE A 782 11.849 -8.317 24.955 1.00 0.00 C ATOM 13 O ILE A 782 12.490 -7.298 25.227 1.00 0.00 O ATOM 14 CB ILE A 782 10.705 -8.462 27.221 1.00 0.00 C ATOM 15 CG1 ILE A 782 10.846 -6.974 27.569 1.00 0.00 C ATOM 16 CG2 ILE A 782 11.891 -9.249 27.756 1.00 0.00 C ATOM 17 CD1 ILE A 782 9.640 -6.140 27.188 1.00 0.00 C ATOM 0 H ILE A 782 10.687 -10.756 25.922 1.00 0.00 H new ATOM 0 HA ILE A 782 9.766 -8.012 25.334 1.00 0.00 H new ATOM 0 HB ILE A 782 9.797 -8.831 27.698 1.00 0.00 H new ATOM 0 HG12 ILE A 782 11.020 -6.876 28.641 1.00 0.00 H new ATOM 0 HG13 ILE A 782 11.726 -6.574 27.065 1.00 0.00 H new ATOM 0 HG21 ILE A 782 11.981 -9.086 28.830 1.00 0.00 H new ATOM 0 HG22 ILE A 782 11.741 -10.311 27.561 1.00 0.00 H new ATOM 0 HG23 ILE A 782 12.803 -8.915 27.261 1.00 0.00 H new ATOM 0 HD11 ILE A 782 9.814 -5.100 27.465 1.00 0.00 H new ATOM 0 HD12 ILE A 782 9.477 -6.206 26.112 1.00 0.00 H new ATOM 0 HD13 ILE A 782 8.760 -6.512 27.712 1.00 0.00 H new ATOM 29 N ASP A 783 12.218 -9.154 24.005 1.00 0.00 N ATOM 30 CA ASP A 783 13.387 -8.896 23.177 1.00 0.00 C ATOM 31 C ASP A 783 13.001 -8.967 21.705 1.00 0.00 C ATOM 32 O ASP A 783 12.992 -10.043 21.104 1.00 0.00 O ATOM 33 CB ASP A 783 14.513 -9.890 23.478 1.00 0.00 C ATOM 34 CG ASP A 783 15.825 -9.496 22.821 1.00 0.00 C ATOM 35 OD1 ASP A 783 15.957 -9.648 21.592 1.00 0.00 O ATOM 36 OD2 ASP A 783 16.736 -9.029 23.537 1.00 0.00 O ATOM 0 H ASP A 783 11.727 -10.020 23.785 1.00 0.00 H new ATOM 0 HA ASP A 783 13.755 -7.896 23.407 1.00 0.00 H new ATOM 0 HB2 ASP A 783 14.656 -9.957 24.557 1.00 0.00 H new ATOM 0 HB3 ASP A 783 14.220 -10.882 23.133 1.00 0.00 H new ATOM 41 N PRO A 784 12.644 -7.823 21.111 1.00 0.00 N ATOM 42 CA PRO A 784 12.211 -7.751 19.715 1.00 0.00 C ATOM 43 C PRO A 784 13.383 -7.670 18.737 1.00 0.00 C ATOM 44 O PRO A 784 13.258 -7.115 17.646 1.00 0.00 O ATOM 45 CB PRO A 784 11.398 -6.461 19.690 1.00 0.00 C ATOM 46 CG PRO A 784 12.057 -5.585 20.700 1.00 0.00 C ATOM 47 CD PRO A 784 12.618 -6.498 21.761 1.00 0.00 C ATOM 0 HA PRO A 784 11.658 -8.638 19.404 1.00 0.00 H new ATOM 0 HB2 PRO A 784 11.409 -6.004 18.701 1.00 0.00 H new ATOM 0 HB3 PRO A 784 10.354 -6.645 19.945 1.00 0.00 H new ATOM 0 HG2 PRO A 784 12.848 -4.992 20.241 1.00 0.00 H new ATOM 0 HG3 PRO A 784 11.342 -4.884 21.131 1.00 0.00 H new ATOM 0 HD2 PRO A 784 13.615 -6.185 22.071 1.00 0.00 H new ATOM 0 HD3 PRO A 784 11.994 -6.503 22.654 1.00 0.00 H new ATOM 55 N PHE A 785 14.516 -8.229 19.135 1.00 0.00 N ATOM 56 CA PHE A 785 15.703 -8.232 18.293 1.00 0.00 C ATOM 57 C PHE A 785 16.174 -9.659 18.055 1.00 0.00 C ATOM 58 O PHE A 785 16.356 -10.086 16.914 1.00 0.00 O ATOM 59 CB PHE A 785 16.826 -7.414 18.940 1.00 0.00 C ATOM 60 CG PHE A 785 16.460 -5.982 19.192 1.00 0.00 C ATOM 61 CD1 PHE A 785 16.504 -5.052 18.166 1.00 0.00 C ATOM 62 CD2 PHE A 785 16.074 -5.564 20.454 1.00 0.00 C ATOM 63 CE1 PHE A 785 16.168 -3.732 18.395 1.00 0.00 C ATOM 64 CE2 PHE A 785 15.738 -4.246 20.690 1.00 0.00 C ATOM 65 CZ PHE A 785 15.783 -3.329 19.659 1.00 0.00 C ATOM 0 H PHE A 785 14.639 -8.687 20.038 1.00 0.00 H new ATOM 0 HA PHE A 785 15.446 -7.776 17.337 1.00 0.00 H new ATOM 0 HB2 PHE A 785 17.105 -7.880 19.885 1.00 0.00 H new ATOM 0 HB3 PHE A 785 17.705 -7.447 18.296 1.00 0.00 H new ATOM 0 HD1 PHE A 785 16.804 -5.363 17.176 1.00 0.00 H new ATOM 0 HD2 PHE A 785 16.035 -6.278 21.264 1.00 0.00 H new ATOM 0 HE1 PHE A 785 16.206 -3.016 17.587 1.00 0.00 H new ATOM 0 HE2 PHE A 785 15.440 -3.933 21.680 1.00 0.00 H new ATOM 0 HZ PHE A 785 15.518 -2.298 19.840 1.00 0.00 H new ATOM 75 N THR A 786 16.345 -10.394 19.140 1.00 0.00 N ATOM 76 CA THR A 786 16.810 -11.763 19.077 1.00 0.00 C ATOM 77 C THR A 786 15.626 -12.711 18.937 1.00 0.00 C ATOM 78 O THR A 786 15.175 -13.317 19.915 1.00 0.00 O ATOM 79 CB THR A 786 17.603 -12.122 20.343 1.00 0.00 C ATOM 80 OG1 THR A 786 18.380 -10.988 20.757 1.00 0.00 O ATOM 81 CG2 THR A 786 18.519 -13.310 20.093 1.00 0.00 C ATOM 0 H THR A 786 16.165 -10.057 20.086 1.00 0.00 H new ATOM 0 HA THR A 786 17.462 -11.864 18.209 1.00 0.00 H new ATOM 0 HB THR A 786 16.899 -12.394 21.129 1.00 0.00 H new ATOM 0 HG1 THR A 786 17.798 -10.339 21.204 1.00 0.00 H new ATOM 0 HG21 THR A 786 19.069 -13.544 21.005 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.923 -14.173 19.798 1.00 0.00 H new ATOM 0 HG23 THR A 786 19.223 -13.066 19.297 1.00 0.00 H new ATOM 89 N ALA A 787 15.102 -12.811 17.727 1.00 0.00 N ATOM 90 CA ALA A 787 13.928 -13.624 17.478 1.00 0.00 C ATOM 91 C ALA A 787 13.844 -14.048 16.022 1.00 0.00 C ATOM 92 O ALA A 787 14.345 -13.356 15.131 1.00 0.00 O ATOM 93 CB ALA A 787 12.673 -12.860 17.873 1.00 0.00 C ATOM 0 H ALA A 787 15.473 -12.338 16.903 1.00 0.00 H new ATOM 0 HA ALA A 787 14.009 -14.526 18.085 1.00 0.00 H new ATOM 0 HB1 ALA A 787 11.796 -13.478 17.683 1.00 0.00 H new ATOM 0 HB2 ALA A 787 12.718 -12.610 18.933 1.00 0.00 H new ATOM 0 HB3 ALA A 787 12.605 -11.944 17.287 1.00 0.00 H new ATOM 99 N HIS A 788 13.219 -15.189 15.793 1.00 0.00 N ATOM 100 CA HIS A 788 12.951 -15.673 14.450 1.00 0.00 C ATOM 101 C HIS A 788 11.445 -15.672 14.217 1.00 0.00 C ATOM 102 O HIS A 788 10.741 -16.599 14.619 1.00 0.00 O ATOM 103 CB HIS A 788 13.537 -17.080 14.252 1.00 0.00 C ATOM 104 CG HIS A 788 13.192 -17.714 12.934 1.00 0.00 C ATOM 105 ND1 HIS A 788 13.804 -17.376 11.746 1.00 0.00 N ATOM 106 CD2 HIS A 788 12.288 -18.675 12.627 1.00 0.00 C ATOM 107 CE1 HIS A 788 13.292 -18.100 10.768 1.00 0.00 C ATOM 108 NE2 HIS A 788 12.373 -18.894 11.276 1.00 0.00 N ATOM 0 H HIS A 788 12.883 -15.806 16.532 1.00 0.00 H new ATOM 0 HA HIS A 788 13.428 -15.016 13.723 1.00 0.00 H new ATOM 0 HB2 HIS A 788 14.622 -17.025 14.342 1.00 0.00 H new ATOM 0 HB3 HIS A 788 13.182 -17.725 15.056 1.00 0.00 H new ATOM 0 HD2 HIS A 788 11.625 -19.175 13.317 1.00 0.00 H new ATOM 0 HE1 HIS A 788 13.578 -18.049 9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 788 11.814 -19.565 10.749 1.00 0.00 H new ATOM 116 N ALA A 789 10.954 -14.611 13.604 1.00 0.00 N ATOM 117 CA ALA A 789 9.527 -14.447 13.403 1.00 0.00 C ATOM 118 C ALA A 789 9.183 -14.361 11.927 1.00 0.00 C ATOM 119 O ALA A 789 9.898 -13.732 11.141 1.00 0.00 O ATOM 120 CB ALA A 789 9.032 -13.210 14.137 1.00 0.00 C ATOM 0 H ALA A 789 11.524 -13.849 13.236 1.00 0.00 H new ATOM 0 HA ALA A 789 9.026 -15.325 13.811 1.00 0.00 H new ATOM 0 HB1 ALA A 789 7.959 -13.098 13.978 1.00 0.00 H new ATOM 0 HB2 ALA A 789 9.232 -13.315 15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 789 9.549 -12.329 13.756 1.00 0.00 H new ATOM 126 N THR A 790 8.083 -14.994 11.557 1.00 0.00 N ATOM 127 CA THR A 790 7.601 -14.966 10.190 1.00 0.00 C ATOM 128 C THR A 790 6.780 -13.706 9.935 1.00 0.00 C ATOM 129 O THR A 790 6.501 -13.352 8.793 1.00 0.00 O ATOM 130 CB THR A 790 6.754 -16.215 9.888 1.00 0.00 C ATOM 131 OG1 THR A 790 5.878 -16.491 10.997 1.00 0.00 O ATOM 132 CG2 THR A 790 7.642 -17.422 9.624 1.00 0.00 C ATOM 0 H THR A 790 7.502 -15.539 12.194 1.00 0.00 H new ATOM 0 HA THR A 790 8.466 -14.960 9.527 1.00 0.00 H new ATOM 0 HB THR A 790 6.162 -16.020 8.994 1.00 0.00 H new ATOM 0 HG1 THR A 790 5.340 -17.286 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 790 7.020 -18.292 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 790 8.286 -17.220 8.768 1.00 0.00 H new ATOM 0 HG23 THR A 790 8.257 -17.620 10.502 1.00 0.00 H new ATOM 140 N GLY A 791 6.400 -13.035 11.017 1.00 0.00 N ATOM 141 CA GLY A 791 5.659 -11.799 10.907 1.00 0.00 C ATOM 142 C GLY A 791 6.575 -10.597 10.922 1.00 0.00 C ATOM 143 O GLY A 791 7.553 -10.573 11.677 1.00 0.00 O ATOM 0 H GLY A 791 6.595 -13.331 11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 791 5.079 -11.803 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 791 4.948 -11.726 11.730 1.00 0.00 H new ATOM 147 N ALA A 792 6.260 -9.614 10.080 1.00 0.00 N ATOM 148 CA ALA A 792 7.046 -8.388 9.959 1.00 0.00 C ATOM 149 C ALA A 792 8.436 -8.683 9.406 1.00 0.00 C ATOM 150 O ALA A 792 9.375 -8.970 10.153 1.00 0.00 O ATOM 151 CB ALA A 792 7.133 -7.646 11.289 1.00 0.00 C ATOM 0 H ALA A 792 5.450 -9.646 9.461 1.00 0.00 H new ATOM 0 HA ALA A 792 6.532 -7.736 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 792 7.725 -6.739 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 792 6.130 -7.381 11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 792 7.606 -8.287 12.033 1.00 0.00 H new ATOM 157 N GLY A 793 8.553 -8.642 8.089 1.00 0.00 N ATOM 158 CA GLY A 793 9.828 -8.886 7.448 1.00 0.00 C ATOM 159 C GLY A 793 10.383 -7.632 6.804 1.00 0.00 C ATOM 160 O GLY A 793 9.633 -6.692 6.529 1.00 0.00 O ATOM 0 H GLY A 793 7.784 -8.443 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 793 10.539 -9.262 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 793 9.712 -9.662 6.692 1.00 0.00 H new ATOM 164 N PRO A 794 11.700 -7.586 6.561 1.00 0.00 N ATOM 165 CA PRO A 794 12.355 -6.430 5.945 1.00 0.00 C ATOM 166 C PRO A 794 11.906 -6.222 4.503 1.00 0.00 C ATOM 167 O PRO A 794 11.826 -7.172 3.725 1.00 0.00 O ATOM 168 CB PRO A 794 13.849 -6.783 5.992 1.00 0.00 C ATOM 169 CG PRO A 794 13.959 -7.924 6.947 1.00 0.00 C ATOM 170 CD PRO A 794 12.656 -8.659 6.862 1.00 0.00 C ATOM 0 HA PRO A 794 12.112 -5.503 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 794 14.218 -7.061 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 794 14.443 -5.932 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 794 14.792 -8.575 6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 794 14.141 -7.568 7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 794 12.670 -9.420 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 794 12.415 -9.166 7.796 1.00 0.00 H new ATOM 178 N ALA A 795 11.612 -4.982 4.149 1.00 0.00 N ATOM 179 CA ALA A 795 11.152 -4.663 2.810 1.00 0.00 C ATOM 180 C ALA A 795 12.275 -4.057 1.984 1.00 0.00 C ATOM 181 O ALA A 795 12.712 -2.935 2.244 1.00 0.00 O ATOM 182 CB ALA A 795 9.968 -3.714 2.868 1.00 0.00 C ATOM 0 H ALA A 795 11.684 -4.178 4.773 1.00 0.00 H new ATOM 0 HA ALA A 795 10.834 -5.588 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 795 9.635 -3.485 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 795 9.153 -4.182 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 795 10.264 -2.793 3.370 1.00 0.00 H new ATOM 188 N GLY A 796 12.740 -4.799 0.989 1.00 0.00 N ATOM 189 CA GLY A 796 13.815 -4.318 0.149 1.00 0.00 C ATOM 190 C GLY A 796 13.323 -3.329 -0.879 1.00 0.00 C ATOM 191 O GLY A 796 12.606 -3.703 -1.808 1.00 0.00 O ATOM 0 H GLY A 796 12.391 -5.727 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 796 14.578 -3.848 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 796 14.288 -5.161 -0.355 1.00 0.00 H new ATOM 195 N ARG A 797 13.677 -2.061 -0.684 1.00 0.00 N ATOM 196 CA ARG A 797 13.284 -0.990 -1.596 1.00 0.00 C ATOM 197 C ARG A 797 11.778 -0.957 -1.797 1.00 0.00 C ATOM 198 O ARG A 797 11.287 -0.715 -2.898 1.00 0.00 O ATOM 199 CB ARG A 797 14.023 -1.121 -2.926 1.00 0.00 C ATOM 200 CG ARG A 797 15.442 -0.590 -2.853 1.00 0.00 C ATOM 201 CD ARG A 797 15.453 0.930 -2.821 1.00 0.00 C ATOM 202 NE ARG A 797 15.310 1.507 -4.159 1.00 0.00 N ATOM 203 CZ ARG A 797 16.330 1.895 -4.934 1.00 0.00 C ATOM 204 NH1 ARG A 797 17.586 1.726 -4.535 1.00 0.00 N ATOM 205 NH2 ARG A 797 16.082 2.441 -6.117 1.00 0.00 N ATOM 0 H ARG A 797 14.241 -1.748 0.106 1.00 0.00 H new ATOM 0 HA ARG A 797 13.568 -0.039 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 797 14.045 -2.169 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 797 13.475 -0.581 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 797 15.935 -0.980 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 797 16.011 -0.944 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 797 14.643 1.285 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 797 16.385 1.277 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 797 14.366 1.621 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 797 17.780 1.297 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 797 18.356 2.025 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 797 15.119 2.563 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 797 16.854 2.739 -6.713 1.00 0.00 H new ATOM 219 N TYR A 798 11.064 -1.211 -0.695 1.00 0.00 N ATOM 220 CA TYR A 798 9.614 -1.032 -0.599 1.00 0.00 C ATOM 221 C TYR A 798 8.872 -2.175 -1.291 1.00 0.00 C ATOM 222 O TYR A 798 7.714 -2.443 -0.984 1.00 0.00 O ATOM 223 CB TYR A 798 9.168 0.324 -1.190 1.00 0.00 C ATOM 224 CG TYR A 798 9.865 1.562 -0.618 1.00 0.00 C ATOM 225 CD1 TYR A 798 11.106 1.453 -0.010 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.270 2.822 -0.648 1.00 0.00 C ATOM 227 CE1 TYR A 798 11.733 2.555 0.540 1.00 0.00 C ATOM 228 CE2 TYR A 798 9.885 3.925 -0.099 1.00 0.00 C ATOM 229 CZ TYR A 798 11.145 3.841 0.347 1.00 0.00 C ATOM 230 OH TYR A 798 11.746 4.877 1.047 1.00 0.00 O ATOM 0 H TYR A 798 11.486 -1.552 0.169 1.00 0.00 H new ATOM 0 HA TYR A 798 9.360 -1.041 0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 798 9.334 0.302 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.094 0.431 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 798 11.592 0.489 0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 798 8.302 2.936 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 798 12.648 2.445 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 798 9.350 4.860 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 798 12.701 4.907 0.831 1.00 0.00 H new ATOM 240 N ASP A 799 9.573 -2.889 -2.163 1.00 0.00 N ATOM 241 CA ASP A 799 8.951 -3.871 -3.046 1.00 0.00 C ATOM 242 C ASP A 799 8.411 -5.069 -2.279 1.00 0.00 C ATOM 243 O ASP A 799 7.350 -5.593 -2.606 1.00 0.00 O ATOM 244 CB ASP A 799 9.961 -4.351 -4.087 1.00 0.00 C ATOM 245 CG ASP A 799 9.321 -5.197 -5.172 1.00 0.00 C ATOM 246 OD1 ASP A 799 8.768 -4.620 -6.133 1.00 0.00 O ATOM 247 OD2 ASP A 799 9.363 -6.443 -5.067 1.00 0.00 O ATOM 0 H ASP A 799 10.583 -2.806 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 799 8.111 -3.379 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 799 10.446 -3.488 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 799 10.741 -4.930 -3.592 1.00 0.00 H new ATOM 252 N GLN A 800 9.137 -5.500 -1.259 1.00 0.00 N ATOM 253 CA GLN A 800 8.725 -6.666 -0.487 1.00 0.00 C ATOM 254 C GLN A 800 7.496 -6.351 0.361 1.00 0.00 C ATOM 255 O GLN A 800 6.685 -7.234 0.645 1.00 0.00 O ATOM 256 CB GLN A 800 9.872 -7.166 0.393 1.00 0.00 C ATOM 257 CG GLN A 800 11.118 -7.534 -0.400 1.00 0.00 C ATOM 258 CD GLN A 800 12.188 -8.204 0.443 1.00 0.00 C ATOM 259 OE1 GLN A 800 13.379 -8.036 0.191 1.00 0.00 O ATOM 260 NE2 GLN A 800 11.772 -8.974 1.435 1.00 0.00 N ATOM 0 H GLN A 800 10.006 -5.066 -0.947 1.00 0.00 H new ATOM 0 HA GLN A 800 8.460 -7.458 -1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.126 -6.395 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.537 -8.037 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.838 -8.200 -1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.532 -6.633 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 800 10.773 -9.086 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 800 12.450 -9.456 2.025 1.00 0.00 H new ATOM 269 N ALA A 801 7.358 -5.092 0.757 1.00 0.00 N ATOM 270 CA ALA A 801 6.199 -4.662 1.526 1.00 0.00 C ATOM 271 C ALA A 801 5.012 -4.424 0.604 1.00 0.00 C ATOM 272 O ALA A 801 3.884 -4.813 0.911 1.00 0.00 O ATOM 273 CB ALA A 801 6.516 -3.406 2.321 1.00 0.00 C ATOM 0 H ALA A 801 8.033 -4.353 0.559 1.00 0.00 H new ATOM 0 HA ALA A 801 5.940 -5.453 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 801 5.636 -3.103 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.338 -3.608 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 801 6.801 -2.606 1.638 1.00 0.00 H new ATOM 279 N THR A 802 5.275 -3.791 -0.533 1.00 0.00 N ATOM 280 CA THR A 802 4.234 -3.520 -1.505 1.00 0.00 C ATOM 281 C THR A 802 3.687 -4.818 -2.080 1.00 0.00 C ATOM 282 O THR A 802 2.489 -4.935 -2.312 1.00 0.00 O ATOM 283 CB THR A 802 4.744 -2.617 -2.644 1.00 0.00 C ATOM 284 OG1 THR A 802 5.929 -3.174 -3.219 1.00 0.00 O ATOM 285 CG2 THR A 802 5.032 -1.214 -2.134 1.00 0.00 C ATOM 0 H THR A 802 6.201 -3.458 -0.800 1.00 0.00 H new ATOM 0 HA THR A 802 3.433 -2.993 -0.986 1.00 0.00 H new ATOM 0 HB THR A 802 3.966 -2.557 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.199 -3.966 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.391 -0.595 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.119 -0.781 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 802 5.793 -1.259 -1.355 1.00 0.00 H new ATOM 293 N ASP A 803 4.572 -5.793 -2.282 1.00 0.00 N ATOM 294 CA ASP A 803 4.181 -7.127 -2.746 1.00 0.00 C ATOM 295 C ASP A 803 2.987 -7.651 -1.959 1.00 0.00 C ATOM 296 O ASP A 803 2.036 -8.191 -2.530 1.00 0.00 O ATOM 297 CB ASP A 803 5.355 -8.100 -2.605 1.00 0.00 C ATOM 298 CG ASP A 803 4.950 -9.542 -2.836 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.799 -9.937 -4.011 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.773 -10.281 -1.846 1.00 0.00 O ATOM 0 H ASP A 803 5.575 -5.684 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 803 3.898 -7.049 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 803 6.135 -7.828 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.785 -8.003 -1.608 1.00 0.00 H new ATOM 305 N THR A 804 3.037 -7.468 -0.649 1.00 0.00 N ATOM 306 CA THR A 804 1.949 -7.864 0.223 1.00 0.00 C ATOM 307 C THR A 804 0.687 -7.064 -0.094 1.00 0.00 C ATOM 308 O THR A 804 -0.372 -7.637 -0.344 1.00 0.00 O ATOM 309 CB THR A 804 2.341 -7.665 1.698 1.00 0.00 C ATOM 310 OG1 THR A 804 3.628 -8.259 1.929 1.00 0.00 O ATOM 311 CG2 THR A 804 1.314 -8.295 2.630 1.00 0.00 C ATOM 0 H THR A 804 3.828 -7.043 -0.165 1.00 0.00 H new ATOM 0 HA THR A 804 1.745 -8.921 0.053 1.00 0.00 H new ATOM 0 HB THR A 804 2.378 -6.596 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 804 3.883 -8.133 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.618 -8.138 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.340 -7.834 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.248 -9.364 2.429 1.00 0.00 H new ATOM 319 N ILE A 805 0.818 -5.743 -0.122 1.00 0.00 N ATOM 320 CA ILE A 805 -0.317 -4.862 -0.376 1.00 0.00 C ATOM 321 C ILE A 805 -0.941 -5.133 -1.743 1.00 0.00 C ATOM 322 O ILE A 805 -2.154 -5.312 -1.844 1.00 0.00 O ATOM 323 CB ILE A 805 0.083 -3.376 -0.286 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.580 -3.043 1.123 1.00 0.00 C ATOM 325 CG2 ILE A 805 -1.094 -2.486 -0.661 1.00 0.00 C ATOM 326 CD1 ILE A 805 0.982 -1.597 1.302 1.00 0.00 C ATOM 0 H ILE A 805 1.702 -5.257 0.029 1.00 0.00 H new ATOM 0 HA ILE A 805 -1.053 -5.076 0.399 1.00 0.00 H new ATOM 0 HB ILE A 805 0.893 -3.191 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 805 -0.204 -3.284 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.433 -3.679 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.795 -1.440 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.407 -2.708 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.923 -2.672 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.323 -1.438 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 805 1.788 -1.355 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.125 -0.954 1.101 1.00 0.00 H new ATOM 338 N LEU A 806 -0.112 -5.180 -2.785 1.00 0.00 N ATOM 339 CA LEU A 806 -0.600 -5.423 -4.141 1.00 0.00 C ATOM 340 C LEU A 806 -1.416 -6.712 -4.206 1.00 0.00 C ATOM 341 O LEU A 806 -2.441 -6.774 -4.884 1.00 0.00 O ATOM 342 CB LEU A 806 0.552 -5.491 -5.157 1.00 0.00 C ATOM 343 CG LEU A 806 1.017 -4.146 -5.737 1.00 0.00 C ATOM 344 CD1 LEU A 806 -0.164 -3.236 -6.010 1.00 0.00 C ATOM 345 CD2 LEU A 806 2.014 -3.458 -4.826 1.00 0.00 C ATOM 0 H LEU A 806 0.898 -5.053 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.240 -4.581 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.405 -5.972 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 806 0.245 -6.134 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 806 1.518 -4.358 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 806 0.192 -2.291 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.833 -3.713 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -0.702 -3.049 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.319 -2.511 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.553 -3.272 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.888 -4.096 -4.696 1.00 0.00 H new ATOM 357 N THR A 807 -0.968 -7.730 -3.483 1.00 0.00 N ATOM 358 CA THR A 807 -1.642 -9.021 -3.481 1.00 0.00 C ATOM 359 C THR A 807 -2.919 -8.990 -2.638 1.00 0.00 C ATOM 360 O THR A 807 -3.960 -9.491 -3.057 1.00 0.00 O ATOM 361 CB THR A 807 -0.708 -10.130 -2.960 1.00 0.00 C ATOM 362 OG1 THR A 807 0.537 -10.089 -3.674 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.343 -11.504 -3.127 1.00 0.00 C ATOM 0 H THR A 807 -0.139 -7.686 -2.890 1.00 0.00 H new ATOM 0 HA THR A 807 -1.915 -9.238 -4.514 1.00 0.00 H new ATOM 0 HB THR A 807 -0.533 -9.957 -1.898 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.197 -9.586 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.662 -12.268 -2.751 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.277 -11.544 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.545 -11.686 -4.183 1.00 0.00 H new ATOM 371 N VAL A 808 -2.845 -8.391 -1.456 1.00 0.00 N ATOM 372 CA VAL A 808 -3.997 -8.342 -0.562 1.00 0.00 C ATOM 373 C VAL A 808 -5.101 -7.453 -1.136 1.00 0.00 C ATOM 374 O VAL A 808 -6.282 -7.708 -0.922 1.00 0.00 O ATOM 375 CB VAL A 808 -3.608 -7.856 0.854 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.829 -7.779 1.760 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.561 -8.774 1.464 1.00 0.00 C ATOM 0 H VAL A 808 -2.007 -7.935 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.374 -9.361 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 808 -3.187 -6.855 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.527 -7.435 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.552 -7.081 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.284 -8.766 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.300 -8.417 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.961 -9.786 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.671 -8.779 0.835 1.00 0.00 H new ATOM 387 N THR A 809 -4.708 -6.430 -1.890 1.00 0.00 N ATOM 388 CA THR A 809 -5.660 -5.513 -2.511 1.00 0.00 C ATOM 389 C THR A 809 -6.703 -6.254 -3.349 1.00 0.00 C ATOM 390 O THR A 809 -7.910 -6.078 -3.159 1.00 0.00 O ATOM 391 CB THR A 809 -4.938 -4.497 -3.415 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.081 -3.658 -2.635 1.00 0.00 O ATOM 393 CG2 THR A 809 -5.946 -3.649 -4.172 1.00 0.00 C ATOM 0 H THR A 809 -3.731 -6.214 -2.087 1.00 0.00 H new ATOM 0 HA THR A 809 -6.164 -4.993 -1.696 1.00 0.00 H new ATOM 0 HB THR A 809 -4.332 -5.047 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.222 -4.108 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.419 -2.936 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.571 -4.293 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.573 -3.109 -3.462 1.00 0.00 H new ATOM 401 N GLU A 810 -6.236 -7.090 -4.265 1.00 0.00 N ATOM 402 CA GLU A 810 -7.128 -7.802 -5.166 1.00 0.00 C ATOM 403 C GLU A 810 -8.003 -8.791 -4.399 1.00 0.00 C ATOM 404 O GLU A 810 -9.098 -9.135 -4.845 1.00 0.00 O ATOM 405 CB GLU A 810 -6.341 -8.498 -6.280 1.00 0.00 C ATOM 406 CG GLU A 810 -5.207 -9.379 -5.793 1.00 0.00 C ATOM 407 CD GLU A 810 -4.414 -9.980 -6.934 1.00 0.00 C ATOM 408 OE1 GLU A 810 -3.652 -9.242 -7.593 1.00 0.00 O ATOM 409 OE2 GLU A 810 -4.558 -11.193 -7.191 1.00 0.00 O ATOM 0 H GLU A 810 -5.246 -7.291 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.788 -7.073 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -7.029 -9.105 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -5.934 -7.739 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.541 -8.793 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -5.612 -10.180 -5.174 1.00 0.00 H new ATOM 416 N ASN A 811 -7.525 -9.223 -3.233 1.00 0.00 N ATOM 417 CA ASN A 811 -8.267 -10.170 -2.406 1.00 0.00 C ATOM 418 C ASN A 811 -9.644 -9.633 -2.029 1.00 0.00 C ATOM 419 O ASN A 811 -10.579 -10.408 -1.839 1.00 0.00 O ATOM 420 CB ASN A 811 -7.512 -10.523 -1.120 1.00 0.00 C ATOM 421 CG ASN A 811 -6.253 -11.334 -1.352 1.00 0.00 C ATOM 422 OD1 ASN A 811 -6.137 -12.064 -2.336 1.00 0.00 O ATOM 423 ND2 ASN A 811 -5.312 -11.225 -0.427 1.00 0.00 N ATOM 0 H ASN A 811 -6.629 -8.932 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.382 -11.069 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -7.249 -9.602 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -8.177 -11.082 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.447 -11.759 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.452 -10.607 0.372 1.00 0.00 H new ATOM 430 N ILE A 812 -9.773 -8.314 -1.917 1.00 0.00 N ATOM 431 CA ILE A 812 -11.047 -7.707 -1.544 1.00 0.00 C ATOM 432 C ILE A 812 -12.112 -7.981 -2.604 1.00 0.00 C ATOM 433 O ILE A 812 -13.269 -8.241 -2.277 1.00 0.00 O ATOM 434 CB ILE A 812 -10.928 -6.177 -1.299 1.00 0.00 C ATOM 435 CG1 ILE A 812 -10.216 -5.887 0.027 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.297 -5.509 -1.306 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.716 -6.051 -0.026 1.00 0.00 C ATOM 0 H ILE A 812 -9.017 -7.649 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 812 -11.346 -8.169 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.335 -5.763 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.448 -4.868 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.616 -6.551 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.181 -4.439 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.775 -5.670 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.916 -5.939 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.291 -5.827 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.472 -7.077 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.301 -5.368 -0.767 1.00 0.00 H new ATOM 449 N PHE A 813 -11.714 -7.954 -3.868 1.00 0.00 N ATOM 450 CA PHE A 813 -12.644 -8.201 -4.963 1.00 0.00 C ATOM 451 C PHE A 813 -13.022 -9.674 -5.026 1.00 0.00 C ATOM 452 O PHE A 813 -14.156 -10.021 -5.345 1.00 0.00 O ATOM 453 CB PHE A 813 -12.045 -7.745 -6.296 1.00 0.00 C ATOM 454 CG PHE A 813 -11.879 -6.256 -6.388 1.00 0.00 C ATOM 455 CD1 PHE A 813 -12.921 -5.459 -6.831 1.00 0.00 C ATOM 456 CD2 PHE A 813 -10.688 -5.654 -6.020 1.00 0.00 C ATOM 457 CE1 PHE A 813 -12.779 -4.088 -6.907 1.00 0.00 C ATOM 458 CE2 PHE A 813 -10.539 -4.283 -6.095 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.587 -3.499 -6.537 1.00 0.00 C ATOM 0 H PHE A 813 -10.756 -7.764 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.548 -7.622 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -11.075 -8.222 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.685 -8.084 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -13.856 -5.915 -7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -9.867 -6.263 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -13.599 -3.478 -7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -9.604 -3.824 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.474 -2.426 -6.593 1.00 0.00 H new ATOM 469 N SER A 814 -12.068 -10.534 -4.704 1.00 0.00 N ATOM 470 CA SER A 814 -12.306 -11.967 -4.673 1.00 0.00 C ATOM 471 C SER A 814 -13.192 -12.342 -3.481 1.00 0.00 C ATOM 472 O SER A 814 -14.093 -13.176 -3.593 1.00 0.00 O ATOM 473 CB SER A 814 -10.967 -12.698 -4.589 1.00 0.00 C ATOM 474 OG SER A 814 -10.079 -12.232 -5.593 1.00 0.00 O ATOM 0 H SER A 814 -11.116 -10.261 -4.459 1.00 0.00 H new ATOM 0 HA SER A 814 -12.825 -12.262 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 814 -10.524 -12.545 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 814 -11.124 -13.770 -4.704 1.00 0.00 H new ATOM 0 HG SER A 814 -9.226 -12.710 -5.523 1.00 0.00 H new ATOM 480 N SER A 815 -12.930 -11.707 -2.347 1.00 0.00 N ATOM 481 CA SER A 815 -13.677 -11.962 -1.122 1.00 0.00 C ATOM 482 C SER A 815 -14.980 -11.165 -1.090 1.00 0.00 C ATOM 483 O SER A 815 -15.766 -11.282 -0.147 1.00 0.00 O ATOM 484 CB SER A 815 -12.815 -11.613 0.093 1.00 0.00 C ATOM 485 OG SER A 815 -11.546 -12.242 0.010 1.00 0.00 O ATOM 0 H SER A 815 -12.198 -11.004 -2.250 1.00 0.00 H new ATOM 0 HA SER A 815 -13.933 -13.021 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.687 -10.532 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.322 -11.926 1.006 1.00 0.00 H new ATOM 0 HG SER A 815 -10.980 -11.754 -0.623 1.00 0.00 H new ATOM 491 N MET A 816 -15.195 -10.346 -2.118 1.00 0.00 N ATOM 492 CA MET A 816 -16.378 -9.495 -2.194 1.00 0.00 C ATOM 493 C MET A 816 -17.648 -10.325 -2.071 1.00 0.00 C ATOM 494 O MET A 816 -17.844 -11.302 -2.800 1.00 0.00 O ATOM 495 CB MET A 816 -16.386 -8.699 -3.501 1.00 0.00 C ATOM 496 CG MET A 816 -17.549 -7.726 -3.617 1.00 0.00 C ATOM 497 SD MET A 816 -17.370 -6.600 -5.015 1.00 0.00 S ATOM 498 CE MET A 816 -15.856 -5.756 -4.564 1.00 0.00 C ATOM 0 H MET A 816 -14.562 -10.255 -2.912 1.00 0.00 H new ATOM 0 HA MET A 816 -16.345 -8.793 -1.361 1.00 0.00 H new ATOM 0 HB2 MET A 816 -15.451 -8.145 -3.585 1.00 0.00 H new ATOM 0 HB3 MET A 816 -16.421 -9.395 -4.340 1.00 0.00 H new ATOM 0 HG2 MET A 816 -18.478 -8.286 -3.722 1.00 0.00 H new ATOM 0 HG3 MET A 816 -17.628 -7.148 -2.696 1.00 0.00 H new ATOM 0 HE1 MET A 816 -15.987 -4.681 -4.690 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.615 -5.973 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 816 -15.043 -6.100 -5.204 1.00 0.00 H new ATOM 508 N GLY A 817 -18.493 -9.941 -1.133 1.00 0.00 N ATOM 509 CA GLY A 817 -19.692 -10.696 -0.858 1.00 0.00 C ATOM 510 C GLY A 817 -19.737 -11.132 0.587 1.00 0.00 C ATOM 511 O GLY A 817 -20.812 -11.277 1.170 1.00 0.00 O ATOM 0 H GLY A 817 -18.368 -9.112 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.568 -10.089 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.732 -11.571 -1.507 1.00 0.00 H new ATOM 515 N ASP A 818 -18.562 -11.344 1.166 1.00 0.00 N ATOM 516 CA ASP A 818 -18.461 -11.675 2.579 1.00 0.00 C ATOM 517 C ASP A 818 -18.038 -10.439 3.359 1.00 0.00 C ATOM 518 O ASP A 818 -16.947 -9.906 3.159 1.00 0.00 O ATOM 519 CB ASP A 818 -17.465 -12.813 2.813 1.00 0.00 C ATOM 520 CG ASP A 818 -17.485 -13.296 4.251 1.00 0.00 C ATOM 521 OD1 ASP A 818 -16.905 -12.619 5.122 1.00 0.00 O ATOM 522 OD2 ASP A 818 -18.096 -14.352 4.522 1.00 0.00 O ATOM 0 H ASP A 818 -17.667 -11.292 0.679 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.438 -12.012 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.700 -13.644 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.461 -12.475 2.558 1.00 0.00 H new ATOM 527 N ALA A 819 -18.909 -9.996 4.249 1.00 0.00 N ATOM 528 CA ALA A 819 -18.714 -8.746 4.965 1.00 0.00 C ATOM 529 C ALA A 819 -17.520 -8.815 5.916 1.00 0.00 C ATOM 530 O ALA A 819 -16.746 -7.864 6.027 1.00 0.00 O ATOM 531 CB ALA A 819 -19.983 -8.385 5.717 1.00 0.00 C ATOM 0 H ALA A 819 -19.767 -10.489 4.495 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.494 -7.967 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.834 -7.448 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.805 -8.272 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -20.222 -9.176 6.428 1.00 0.00 H new ATOM 537 N GLY A 820 -17.371 -9.941 6.590 1.00 0.00 N ATOM 538 CA GLY A 820 -16.289 -10.098 7.542 1.00 0.00 C ATOM 539 C GLY A 820 -14.929 -10.203 6.879 1.00 0.00 C ATOM 540 O GLY A 820 -13.953 -9.620 7.356 1.00 0.00 O ATOM 0 H GLY A 820 -17.981 -10.753 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -16.289 -9.250 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.466 -10.992 8.141 1.00 0.00 H new ATOM 544 N GLU A 821 -14.863 -10.944 5.782 1.00 0.00 N ATOM 545 CA GLU A 821 -13.602 -11.178 5.091 1.00 0.00 C ATOM 546 C GLU A 821 -13.093 -9.902 4.419 1.00 0.00 C ATOM 547 O GLU A 821 -11.902 -9.595 4.479 1.00 0.00 O ATOM 548 CB GLU A 821 -13.767 -12.292 4.054 1.00 0.00 C ATOM 549 CG GLU A 821 -12.451 -12.806 3.491 1.00 0.00 C ATOM 550 CD GLU A 821 -11.537 -13.358 4.566 1.00 0.00 C ATOM 551 OE1 GLU A 821 -11.944 -14.310 5.268 1.00 0.00 O ATOM 552 OE2 GLU A 821 -10.414 -12.840 4.721 1.00 0.00 O ATOM 0 H GLU A 821 -15.670 -11.395 5.350 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.864 -11.486 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.306 -13.123 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -14.383 -11.924 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -12.653 -13.585 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.943 -11.997 2.967 1.00 0.00 H new ATOM 559 N MET A 822 -13.999 -9.151 3.798 1.00 0.00 N ATOM 560 CA MET A 822 -13.625 -7.925 3.092 1.00 0.00 C ATOM 561 C MET A 822 -12.985 -6.907 4.037 1.00 0.00 C ATOM 562 O MET A 822 -11.958 -6.310 3.709 1.00 0.00 O ATOM 563 CB MET A 822 -14.840 -7.303 2.403 1.00 0.00 C ATOM 564 CG MET A 822 -15.333 -8.087 1.197 1.00 0.00 C ATOM 565 SD MET A 822 -16.857 -7.412 0.502 1.00 0.00 S ATOM 566 CE MET A 822 -16.352 -5.734 0.128 1.00 0.00 C ATOM 0 H MET A 822 -14.995 -9.368 3.768 1.00 0.00 H new ATOM 0 HA MET A 822 -12.889 -8.198 2.335 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.652 -7.219 3.126 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.588 -6.291 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.559 -8.090 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.499 -9.125 1.487 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.890 -5.379 -0.751 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.578 -5.088 0.977 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.280 -5.712 -0.070 1.00 0.00 H new ATOM 576 N VAL A 823 -13.586 -6.713 5.207 1.00 0.00 N ATOM 577 CA VAL A 823 -13.043 -5.786 6.196 1.00 0.00 C ATOM 578 C VAL A 823 -11.712 -6.306 6.734 1.00 0.00 C ATOM 579 O VAL A 823 -10.780 -5.538 6.981 1.00 0.00 O ATOM 580 CB VAL A 823 -14.024 -5.565 7.370 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.439 -4.608 8.400 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.356 -5.039 6.857 1.00 0.00 C ATOM 0 H VAL A 823 -14.445 -7.182 5.493 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.888 -4.830 5.697 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.190 -6.526 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -14.150 -4.471 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.511 -5.021 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.237 -3.646 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -16.035 -4.889 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.199 -4.091 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.789 -5.760 6.164 1.00 0.00 H new ATOM 592 N ARG A 824 -11.629 -7.621 6.885 1.00 0.00 N ATOM 593 CA ARG A 824 -10.424 -8.270 7.383 1.00 0.00 C ATOM 594 C ARG A 824 -9.246 -8.009 6.447 1.00 0.00 C ATOM 595 O ARG A 824 -8.167 -7.611 6.888 1.00 0.00 O ATOM 596 CB ARG A 824 -10.668 -9.771 7.517 1.00 0.00 C ATOM 597 CG ARG A 824 -9.570 -10.514 8.253 1.00 0.00 C ATOM 598 CD ARG A 824 -9.866 -12.000 8.299 1.00 0.00 C ATOM 599 NE ARG A 824 -8.960 -12.722 9.187 1.00 0.00 N ATOM 600 CZ ARG A 824 -8.895 -14.050 9.257 1.00 0.00 C ATOM 601 NH1 ARG A 824 -9.675 -14.797 8.482 1.00 0.00 N ATOM 602 NH2 ARG A 824 -8.060 -14.632 10.108 1.00 0.00 N ATOM 0 H ARG A 824 -12.390 -8.264 6.667 1.00 0.00 H new ATOM 0 HA ARG A 824 -10.180 -7.856 8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.612 -9.930 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.778 -10.201 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.614 -10.344 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.478 -10.125 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -10.893 -12.153 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.791 -12.414 7.293 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.341 -12.178 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.324 -14.353 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.624 -15.814 8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -7.466 -14.062 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.012 -15.650 10.160 1.00 0.00 H new ATOM 616 N GLN A 825 -9.468 -8.218 5.152 1.00 0.00 N ATOM 617 CA GLN A 825 -8.435 -7.989 4.146 1.00 0.00 C ATOM 618 C GLN A 825 -8.003 -6.524 4.136 1.00 0.00 C ATOM 619 O GLN A 825 -6.816 -6.216 4.010 1.00 0.00 O ATOM 620 CB GLN A 825 -8.942 -8.395 2.760 1.00 0.00 C ATOM 621 CG GLN A 825 -9.286 -9.871 2.639 1.00 0.00 C ATOM 622 CD GLN A 825 -8.070 -10.776 2.719 1.00 0.00 C ATOM 623 OE1 GLN A 825 -6.971 -10.409 2.297 1.00 0.00 O ATOM 624 NE2 GLN A 825 -8.252 -11.962 3.274 1.00 0.00 N ATOM 0 H GLN A 825 -10.357 -8.546 4.774 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.571 -8.603 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.826 -7.805 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -8.182 -8.147 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -9.985 -10.141 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.797 -10.042 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -9.176 -12.231 3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -7.468 -12.608 3.365 1.00 0.00 H new ATOM 633 N ALA A 826 -8.972 -5.623 4.280 1.00 0.00 N ATOM 634 CA ALA A 826 -8.692 -4.194 4.353 1.00 0.00 C ATOM 635 C ALA A 826 -7.766 -3.871 5.524 1.00 0.00 C ATOM 636 O ALA A 826 -6.867 -3.039 5.403 1.00 0.00 O ATOM 637 CB ALA A 826 -9.988 -3.406 4.471 1.00 0.00 C ATOM 0 H ALA A 826 -9.962 -5.860 4.349 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.185 -3.904 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.763 -2.341 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.613 -3.601 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.518 -3.710 5.373 1.00 0.00 H new ATOM 643 N ARG A 827 -7.978 -4.538 6.654 1.00 0.00 N ATOM 644 CA ARG A 827 -7.136 -4.326 7.829 1.00 0.00 C ATOM 645 C ARG A 827 -5.724 -4.850 7.587 1.00 0.00 C ATOM 646 O ARG A 827 -4.752 -4.303 8.112 1.00 0.00 O ATOM 647 CB ARG A 827 -7.736 -4.992 9.066 1.00 0.00 C ATOM 648 CG ARG A 827 -9.024 -4.344 9.544 1.00 0.00 C ATOM 649 CD ARG A 827 -9.490 -4.945 10.860 1.00 0.00 C ATOM 650 NE ARG A 827 -8.517 -4.738 11.935 1.00 0.00 N ATOM 651 CZ ARG A 827 -8.151 -5.683 12.802 1.00 0.00 C ATOM 652 NH1 ARG A 827 -8.688 -6.893 12.732 1.00 0.00 N ATOM 653 NH2 ARG A 827 -7.251 -5.410 13.740 1.00 0.00 N ATOM 0 H ARG A 827 -8.720 -5.226 6.782 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.086 -3.252 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.928 -6.042 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -7.004 -4.965 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -8.871 -3.272 9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.800 -4.471 8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -10.444 -4.500 11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -9.663 -6.013 10.729 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.093 -3.815 12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -9.382 -7.102 12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.407 -7.615 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.840 -4.478 13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.971 -6.132 14.403 1.00 0.00 H new ATOM 667 N ILE A 828 -5.614 -5.910 6.797 1.00 0.00 N ATOM 668 CA ILE A 828 -4.311 -6.444 6.423 1.00 0.00 C ATOM 669 C ILE A 828 -3.547 -5.406 5.606 1.00 0.00 C ATOM 670 O ILE A 828 -2.348 -5.196 5.805 1.00 0.00 O ATOM 671 CB ILE A 828 -4.439 -7.757 5.616 1.00 0.00 C ATOM 672 CG1 ILE A 828 -5.219 -8.799 6.421 1.00 0.00 C ATOM 673 CG2 ILE A 828 -3.060 -8.292 5.245 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.476 -10.088 5.670 1.00 0.00 C ATOM 0 H ILE A 828 -6.408 -6.415 6.404 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.766 -6.670 7.339 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.985 -7.548 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.668 -9.026 7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -6.174 -8.370 6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -3.169 -9.216 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.534 -7.554 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.490 -8.489 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -6.033 -10.775 6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -6.055 -9.876 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.525 -10.542 5.391 1.00 0.00 H new ATOM 686 N LEU A 829 -4.262 -4.740 4.703 1.00 0.00 N ATOM 687 CA LEU A 829 -3.693 -3.643 3.929 1.00 0.00 C ATOM 688 C LEU A 829 -3.230 -2.523 4.849 1.00 0.00 C ATOM 689 O LEU A 829 -2.131 -2.003 4.696 1.00 0.00 O ATOM 690 CB LEU A 829 -4.716 -3.094 2.934 1.00 0.00 C ATOM 691 CG LEU A 829 -5.067 -4.028 1.776 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.146 -3.406 0.907 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.828 -4.332 0.949 1.00 0.00 C ATOM 0 H LEU A 829 -5.239 -4.942 4.490 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.836 -4.032 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.631 -2.853 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.333 -2.160 2.523 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.448 -4.964 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.386 -4.082 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.039 -3.231 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.788 -2.459 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -4.093 -4.998 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.422 -3.404 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.079 -4.812 1.579 1.00 0.00 H new ATOM 705 N ALA A 830 -4.074 -2.170 5.814 1.00 0.00 N ATOM 706 CA ALA A 830 -3.760 -1.110 6.767 1.00 0.00 C ATOM 707 C ALA A 830 -2.442 -1.383 7.485 1.00 0.00 C ATOM 708 O ALA A 830 -1.583 -0.506 7.576 1.00 0.00 O ATOM 709 CB ALA A 830 -4.891 -0.951 7.773 1.00 0.00 C ATOM 0 H ALA A 830 -4.985 -2.605 5.957 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.650 -0.179 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.643 -0.157 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.812 -0.696 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.030 -1.886 8.315 1.00 0.00 H new ATOM 715 N GLN A 831 -2.278 -2.608 7.980 1.00 0.00 N ATOM 716 CA GLN A 831 -1.052 -2.997 8.673 1.00 0.00 C ATOM 717 C GLN A 831 0.147 -2.931 7.729 1.00 0.00 C ATOM 718 O GLN A 831 1.212 -2.428 8.094 1.00 0.00 O ATOM 719 CB GLN A 831 -1.179 -4.410 9.245 1.00 0.00 C ATOM 720 CG GLN A 831 0.042 -4.856 10.037 1.00 0.00 C ATOM 721 CD GLN A 831 -0.018 -6.316 10.443 1.00 0.00 C ATOM 722 OE1 GLN A 831 -1.095 -6.875 10.651 1.00 0.00 O ATOM 723 NE2 GLN A 831 1.143 -6.941 10.574 1.00 0.00 N ATOM 0 H GLN A 831 -2.978 -3.347 7.914 1.00 0.00 H new ATOM 0 HA GLN A 831 -0.895 -2.296 9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.057 -4.455 9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.348 -5.111 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.938 -4.687 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.134 -4.239 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.014 -6.442 10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 831 1.166 -7.921 10.857 1.00 0.00 H new ATOM 732 N ALA A 832 -0.038 -3.432 6.516 1.00 0.00 N ATOM 733 CA ALA A 832 1.025 -3.450 5.519 1.00 0.00 C ATOM 734 C ALA A 832 1.429 -2.038 5.119 1.00 0.00 C ATOM 735 O ALA A 832 2.618 -1.716 5.065 1.00 0.00 O ATOM 736 CB ALA A 832 0.589 -4.249 4.305 1.00 0.00 C ATOM 0 H ALA A 832 -0.919 -3.834 6.196 1.00 0.00 H new ATOM 0 HA ALA A 832 1.899 -3.931 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.391 -4.256 3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.363 -5.272 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.301 -3.794 3.870 1.00 0.00 H new ATOM 742 N THR A 833 0.440 -1.193 4.861 1.00 0.00 N ATOM 743 CA THR A 833 0.695 0.193 4.509 1.00 0.00 C ATOM 744 C THR A 833 1.428 0.912 5.640 1.00 0.00 C ATOM 745 O THR A 833 2.278 1.771 5.395 1.00 0.00 O ATOM 746 CB THR A 833 -0.617 0.938 4.178 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.219 0.379 3.004 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.369 2.425 3.970 1.00 0.00 C ATOM 0 H THR A 833 -0.548 -1.446 4.890 1.00 0.00 H new ATOM 0 HA THR A 833 1.326 0.194 3.620 1.00 0.00 H new ATOM 0 HB THR A 833 -1.293 0.819 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.879 1.008 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.311 2.922 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 833 0.054 2.854 4.878 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.328 2.566 3.144 1.00 0.00 H new ATOM 756 N SER A 834 1.119 0.530 6.874 1.00 0.00 N ATOM 757 CA SER A 834 1.745 1.137 8.046 1.00 0.00 C ATOM 758 C SER A 834 3.263 0.988 7.991 1.00 0.00 C ATOM 759 O SER A 834 4.001 1.919 8.322 1.00 0.00 O ATOM 760 CB SER A 834 1.201 0.507 9.331 1.00 0.00 C ATOM 761 OG SER A 834 -0.195 0.720 9.455 1.00 0.00 O ATOM 0 H SER A 834 0.438 -0.198 7.090 1.00 0.00 H new ATOM 0 HA SER A 834 1.503 2.200 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 834 1.410 -0.563 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.714 0.932 10.193 1.00 0.00 H new ATOM 0 HG SER A 834 -0.675 0.081 8.887 1.00 0.00 H new ATOM 767 N ASP A 835 3.726 -0.175 7.545 1.00 0.00 N ATOM 768 CA ASP A 835 5.157 -0.441 7.455 1.00 0.00 C ATOM 769 C ASP A 835 5.794 0.467 6.410 1.00 0.00 C ATOM 770 O ASP A 835 6.873 1.023 6.626 1.00 0.00 O ATOM 771 CB ASP A 835 5.417 -1.907 7.100 1.00 0.00 C ATOM 772 CG ASP A 835 6.871 -2.307 7.285 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.699 -2.010 6.403 1.00 0.00 O ATOM 774 OD2 ASP A 835 7.191 -2.921 8.325 1.00 0.00 O ATOM 0 H ASP A 835 3.133 -0.947 7.241 1.00 0.00 H new ATOM 0 HA ASP A 835 5.604 -0.237 8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.788 -2.544 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 835 5.125 -2.083 6.065 1.00 0.00 H new ATOM 779 N LEU A 836 5.104 0.634 5.287 1.00 0.00 N ATOM 780 CA LEU A 836 5.586 1.486 4.209 1.00 0.00 C ATOM 781 C LEU A 836 5.617 2.948 4.619 1.00 0.00 C ATOM 782 O LEU A 836 6.610 3.626 4.397 1.00 0.00 O ATOM 783 CB LEU A 836 4.734 1.318 2.956 1.00 0.00 C ATOM 784 CG LEU A 836 5.081 0.099 2.109 1.00 0.00 C ATOM 785 CD1 LEU A 836 4.059 -0.085 1.004 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.477 0.244 1.521 1.00 0.00 C ATOM 0 H LEU A 836 4.206 0.188 5.100 1.00 0.00 H new ATOM 0 HA LEU A 836 6.606 1.172 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.687 1.252 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 836 4.836 2.212 2.341 1.00 0.00 H new ATOM 0 HG LEU A 836 5.063 -0.784 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.321 -0.959 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.071 -0.227 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 836 4.049 0.799 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.711 -0.634 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 836 6.517 1.135 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.204 0.335 2.328 1.00 0.00 H new ATOM 798 N VAL A 837 4.532 3.433 5.219 1.00 0.00 N ATOM 799 CA VAL A 837 4.470 4.825 5.664 1.00 0.00 C ATOM 800 C VAL A 837 5.660 5.150 6.563 1.00 0.00 C ATOM 801 O VAL A 837 6.275 6.208 6.436 1.00 0.00 O ATOM 802 CB VAL A 837 3.147 5.132 6.404 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.136 6.562 6.936 1.00 0.00 C ATOM 804 CG2 VAL A 837 1.959 4.903 5.484 1.00 0.00 C ATOM 0 H VAL A 837 3.690 2.889 5.407 1.00 0.00 H new ATOM 0 HA VAL A 837 4.509 5.454 4.775 1.00 0.00 H new ATOM 0 HB VAL A 837 3.070 4.453 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.195 6.751 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 837 3.964 6.698 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 837 3.241 7.260 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.036 5.123 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.040 5.557 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 837 1.948 3.864 5.155 1.00 0.00 H new ATOM 814 N ASN A 838 6.001 4.218 7.443 1.00 0.00 N ATOM 815 CA ASN A 838 7.178 4.371 8.289 1.00 0.00 C ATOM 816 C ASN A 838 8.451 4.359 7.452 1.00 0.00 C ATOM 817 O ASN A 838 9.294 5.246 7.587 1.00 0.00 O ATOM 818 CB ASN A 838 7.255 3.259 9.340 1.00 0.00 C ATOM 819 CG ASN A 838 6.368 3.510 10.547 1.00 0.00 C ATOM 820 OD1 ASN A 838 6.791 4.138 11.519 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.142 3.015 10.503 1.00 0.00 N ATOM 0 H ASN A 838 5.482 3.352 7.590 1.00 0.00 H new ATOM 0 HA ASN A 838 7.088 5.331 8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 838 6.970 2.313 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.288 3.154 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.510 3.148 11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 838 4.829 2.501 9.680 1.00 0.00 H new ATOM 828 N ALA A 839 8.576 3.360 6.581 1.00 0.00 N ATOM 829 CA ALA A 839 9.776 3.185 5.768 1.00 0.00 C ATOM 830 C ALA A 839 10.020 4.382 4.863 1.00 0.00 C ATOM 831 O ALA A 839 11.088 4.973 4.905 1.00 0.00 O ATOM 832 CB ALA A 839 9.676 1.919 4.930 1.00 0.00 C ATOM 0 H ALA A 839 7.856 2.656 6.420 1.00 0.00 H new ATOM 0 HA ALA A 839 10.620 3.098 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.580 1.807 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.566 1.056 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.810 1.986 4.271 1.00 0.00 H new ATOM 838 N ILE A 840 9.020 4.745 4.071 1.00 0.00 N ATOM 839 CA ILE A 840 9.163 5.820 3.090 1.00 0.00 C ATOM 840 C ILE A 840 9.602 7.128 3.754 1.00 0.00 C ATOM 841 O ILE A 840 10.522 7.797 3.288 1.00 0.00 O ATOM 842 CB ILE A 840 7.843 6.066 2.322 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.316 4.760 1.717 1.00 0.00 C ATOM 844 CG2 ILE A 840 8.056 7.097 1.227 1.00 0.00 C ATOM 845 CD1 ILE A 840 5.988 4.908 1.005 1.00 0.00 C ATOM 0 H ILE A 840 8.097 4.311 4.087 1.00 0.00 H new ATOM 0 HA ILE A 840 9.931 5.498 2.387 1.00 0.00 H new ATOM 0 HB ILE A 840 7.103 6.445 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.053 4.373 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.212 4.019 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.119 7.261 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.390 8.035 1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.812 6.736 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 840 5.681 3.942 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.236 5.265 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.090 5.624 0.189 1.00 0.00 H new ATOM 857 N LYS A 841 8.958 7.472 4.860 1.00 0.00 N ATOM 858 CA LYS A 841 9.239 8.727 5.545 1.00 0.00 C ATOM 859 C LYS A 841 10.584 8.683 6.266 1.00 0.00 C ATOM 860 O LYS A 841 11.279 9.697 6.364 1.00 0.00 O ATOM 861 CB LYS A 841 8.105 9.047 6.521 1.00 0.00 C ATOM 862 CG LYS A 841 6.797 9.363 5.813 1.00 0.00 C ATOM 863 CD LYS A 841 5.600 9.287 6.748 1.00 0.00 C ATOM 864 CE LYS A 841 5.636 10.352 7.830 1.00 0.00 C ATOM 865 NZ LYS A 841 5.725 11.725 7.266 1.00 0.00 N ATOM 0 H LYS A 841 8.238 6.901 5.302 1.00 0.00 H new ATOM 0 HA LYS A 841 9.301 9.520 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 841 7.956 8.199 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 841 8.393 9.896 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 841 6.853 10.361 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 841 6.655 8.665 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 841 4.683 9.394 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 841 5.569 8.302 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 841 4.740 10.272 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 841 6.490 10.174 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 5.494 12.419 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 6.691 11.896 6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 5.053 11.821 6.478 1.00 0.00 H new ATOM 879 N ALA A 842 10.955 7.509 6.757 1.00 0.00 N ATOM 880 CA ALA A 842 12.235 7.335 7.434 1.00 0.00 C ATOM 881 C ALA A 842 13.375 7.240 6.428 1.00 0.00 C ATOM 882 O ALA A 842 14.483 7.710 6.682 1.00 0.00 O ATOM 883 CB ALA A 842 12.206 6.101 8.321 1.00 0.00 C ATOM 0 H ALA A 842 10.389 6.662 6.700 1.00 0.00 H new ATOM 0 HA ALA A 842 12.407 8.210 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 842 13.169 5.987 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 842 11.422 6.210 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.006 5.220 7.712 1.00 0.00 H new ATOM 889 N ASP A 843 13.092 6.636 5.281 1.00 0.00 N ATOM 890 CA ASP A 843 14.093 6.441 4.243 1.00 0.00 C ATOM 891 C ASP A 843 14.353 7.754 3.515 1.00 0.00 C ATOM 892 O ASP A 843 15.446 7.985 2.996 1.00 0.00 O ATOM 893 CB ASP A 843 13.624 5.363 3.263 1.00 0.00 C ATOM 894 CG ASP A 843 14.719 4.888 2.333 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.663 4.219 2.811 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.635 5.153 1.114 1.00 0.00 O ATOM 0 H ASP A 843 12.169 6.270 5.046 1.00 0.00 H new ATOM 0 HA ASP A 843 15.025 6.111 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 843 13.239 4.512 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.797 5.754 2.671 1.00 0.00 H new ATOM 901 N ALA A 844 13.342 8.621 3.507 1.00 0.00 N ATOM 902 CA ALA A 844 13.482 9.968 2.963 1.00 0.00 C ATOM 903 C ALA A 844 14.503 10.768 3.770 1.00 0.00 C ATOM 904 O ALA A 844 15.099 11.720 3.270 1.00 0.00 O ATOM 905 CB ALA A 844 12.136 10.684 2.948 1.00 0.00 C ATOM 0 H ALA A 844 12.413 8.412 3.873 1.00 0.00 H new ATOM 0 HA ALA A 844 13.840 9.887 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 844 12.262 11.687 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.434 10.125 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.749 10.753 3.965 1.00 0.00 H new ATOM 911 N GLU A 845 14.703 10.369 5.022 1.00 0.00 N ATOM 912 CA GLU A 845 15.698 11.006 5.877 1.00 0.00 C ATOM 913 C GLU A 845 17.098 10.526 5.516 1.00 0.00 C ATOM 914 O GLU A 845 18.087 11.205 5.782 1.00 0.00 O ATOM 915 CB GLU A 845 15.409 10.715 7.351 1.00 0.00 C ATOM 916 CG GLU A 845 14.081 11.274 7.830 1.00 0.00 C ATOM 917 CD GLU A 845 14.014 12.785 7.735 1.00 0.00 C ATOM 918 OE1 GLU A 845 13.725 13.304 6.635 1.00 0.00 O ATOM 919 OE2 GLU A 845 14.266 13.461 8.752 1.00 0.00 O ATOM 0 H GLU A 845 14.190 9.608 5.467 1.00 0.00 H new ATOM 0 HA GLU A 845 15.643 12.083 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 845 15.418 9.637 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 845 16.211 11.133 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 845 13.275 10.841 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 845 13.916 10.971 8.864 1.00 0.00 H new ATOM 926 N GLY A 846 17.173 9.350 4.905 1.00 0.00 N ATOM 927 CA GLY A 846 18.450 8.813 4.480 1.00 0.00 C ATOM 928 C GLY A 846 18.869 9.370 3.136 1.00 0.00 C ATOM 929 O GLY A 846 20.042 9.308 2.761 1.00 0.00 O ATOM 0 H GLY A 846 16.369 8.758 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 846 19.210 9.048 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 846 18.387 7.726 4.421 1.00 0.00 H new ATOM 933 N GLU A 847 17.903 9.922 2.417 1.00 0.00 N ATOM 934 CA GLU A 847 18.156 10.528 1.120 1.00 0.00 C ATOM 935 C GLU A 847 18.810 11.896 1.296 1.00 0.00 C ATOM 936 O GLU A 847 18.383 12.700 2.122 1.00 0.00 O ATOM 937 CB GLU A 847 16.844 10.647 0.334 1.00 0.00 C ATOM 938 CG GLU A 847 16.967 11.389 -0.989 1.00 0.00 C ATOM 939 CD GLU A 847 17.971 10.766 -1.942 1.00 0.00 C ATOM 940 OE1 GLU A 847 19.175 11.060 -1.824 1.00 0.00 O ATOM 941 OE2 GLU A 847 17.561 9.964 -2.802 1.00 0.00 O ATOM 0 H GLU A 847 16.928 9.962 2.714 1.00 0.00 H new ATOM 0 HA GLU A 847 18.840 9.894 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 847 16.459 9.646 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 847 16.108 11.157 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 847 15.990 11.419 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.257 12.421 -0.792 1.00 0.00 H new ATOM 948 N SER A 848 19.855 12.138 0.524 1.00 0.00 N ATOM 949 CA SER A 848 20.578 13.396 0.575 1.00 0.00 C ATOM 950 C SER A 848 19.924 14.419 -0.353 1.00 0.00 C ATOM 951 O SER A 848 20.180 15.619 -0.257 1.00 0.00 O ATOM 952 CB SER A 848 22.041 13.164 0.179 1.00 0.00 C ATOM 953 OG SER A 848 22.810 14.345 0.314 1.00 0.00 O ATOM 0 H SER A 848 20.225 11.471 -0.153 1.00 0.00 H new ATOM 0 HA SER A 848 20.546 13.789 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 848 22.467 12.378 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.089 12.814 -0.852 1.00 0.00 H new ATOM 0 HG SER A 848 23.738 14.163 0.055 1.00 0.00 H new ATOM 959 N ASP A 849 19.063 13.937 -1.241 1.00 0.00 N ATOM 960 CA ASP A 849 18.355 14.805 -2.172 1.00 0.00 C ATOM 961 C ASP A 849 17.058 15.271 -1.541 1.00 0.00 C ATOM 962 O ASP A 849 16.143 14.476 -1.328 1.00 0.00 O ATOM 963 CB ASP A 849 18.052 14.075 -3.480 1.00 0.00 C ATOM 964 CG ASP A 849 17.555 15.019 -4.555 1.00 0.00 C ATOM 965 OD1 ASP A 849 18.393 15.624 -5.256 1.00 0.00 O ATOM 966 OD2 ASP A 849 16.320 15.165 -4.697 1.00 0.00 O ATOM 0 H ASP A 849 18.838 12.947 -1.336 1.00 0.00 H new ATOM 0 HA ASP A 849 18.990 15.662 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 849 18.952 13.569 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.303 13.304 -3.300 1.00 0.00 H new ATOM 971 N LEU A 850 16.972 16.554 -1.251 1.00 0.00 N ATOM 972 CA LEU A 850 15.844 17.090 -0.510 1.00 0.00 C ATOM 973 C LEU A 850 14.578 17.105 -1.352 1.00 0.00 C ATOM 974 O LEU A 850 13.476 16.945 -0.824 1.00 0.00 O ATOM 975 CB LEU A 850 16.155 18.481 0.001 1.00 0.00 C ATOM 976 CG LEU A 850 15.640 18.732 1.408 1.00 0.00 C ATOM 977 CD1 LEU A 850 16.781 19.109 2.322 1.00 0.00 C ATOM 978 CD2 LEU A 850 14.563 19.791 1.396 1.00 0.00 C ATOM 0 H LEU A 850 17.671 17.248 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 850 15.669 16.434 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 850 17.234 18.634 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 850 15.718 19.215 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 850 15.194 17.814 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 850 16.399 19.286 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 850 17.509 18.298 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 850 17.260 20.015 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 850 14.206 19.958 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 850 14.971 20.720 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 850 13.734 19.460 0.770 1.00 0.00 H new ATOM 990 N GLU A 851 14.728 17.288 -2.658 1.00 0.00 N ATOM 991 CA GLU A 851 13.580 17.253 -3.554 1.00 0.00 C ATOM 992 C GLU A 851 12.972 15.856 -3.557 1.00 0.00 C ATOM 993 O GLU A 851 11.751 15.694 -3.480 1.00 0.00 O ATOM 994 CB GLU A 851 13.977 17.664 -4.973 1.00 0.00 C ATOM 995 CG GLU A 851 14.559 19.068 -5.064 1.00 0.00 C ATOM 996 CD GLU A 851 13.647 20.123 -4.470 1.00 0.00 C ATOM 997 OE1 GLU A 851 12.616 20.452 -5.097 1.00 0.00 O ATOM 998 OE2 GLU A 851 13.963 20.638 -3.380 1.00 0.00 O ATOM 0 H GLU A 851 15.623 17.460 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 851 12.839 17.967 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 851 14.708 16.952 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 851 13.101 17.601 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 851 15.519 19.092 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.753 19.309 -6.109 1.00 0.00 H new ATOM 1005 N ASN A 852 13.836 14.848 -3.626 1.00 0.00 N ATOM 1006 CA ASN A 852 13.403 13.459 -3.544 1.00 0.00 C ATOM 1007 C ASN A 852 12.850 13.160 -2.158 1.00 0.00 C ATOM 1008 O ASN A 852 11.856 12.454 -2.022 1.00 0.00 O ATOM 1009 CB ASN A 852 14.559 12.505 -3.852 1.00 0.00 C ATOM 1010 CG ASN A 852 14.116 11.053 -3.862 1.00 0.00 C ATOM 1011 OD1 ASN A 852 12.979 10.737 -4.206 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.008 10.158 -3.486 1.00 0.00 N ATOM 0 H ASN A 852 14.843 14.969 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 852 12.619 13.308 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 852 14.989 12.759 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.346 12.638 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 852 14.763 9.168 -3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 852 15.943 10.456 -3.207 1.00 0.00 H new ATOM 1019 N SER A 853 13.490 13.717 -1.131 1.00 0.00 N ATOM 1020 CA SER A 853 13.035 13.531 0.240 1.00 0.00 C ATOM 1021 C SER A 853 11.583 13.989 0.378 1.00 0.00 C ATOM 1022 O SER A 853 10.740 13.270 0.915 1.00 0.00 O ATOM 1023 CB SER A 853 13.926 14.308 1.212 1.00 0.00 C ATOM 1024 OG SER A 853 15.281 13.906 1.097 1.00 0.00 O ATOM 0 H SER A 853 14.323 14.299 -1.225 1.00 0.00 H new ATOM 0 HA SER A 853 13.098 12.471 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.842 15.376 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.581 14.147 2.234 1.00 0.00 H new ATOM 0 HG SER A 853 15.646 14.226 0.246 1.00 0.00 H new ATOM 1030 N ARG A 854 11.295 15.179 -0.147 1.00 0.00 N ATOM 1031 CA ARG A 854 9.941 15.723 -0.137 1.00 0.00 C ATOM 1032 C ARG A 854 8.998 14.854 -0.961 1.00 0.00 C ATOM 1033 O ARG A 854 7.837 14.666 -0.599 1.00 0.00 O ATOM 1034 CB ARG A 854 9.934 17.150 -0.689 1.00 0.00 C ATOM 1035 CG ARG A 854 10.611 18.162 0.213 1.00 0.00 C ATOM 1036 CD ARG A 854 10.650 19.536 -0.433 1.00 0.00 C ATOM 1037 NE ARG A 854 11.117 20.567 0.492 1.00 0.00 N ATOM 1038 CZ ARG A 854 11.871 21.607 0.131 1.00 0.00 C ATOM 1039 NH1 ARG A 854 12.288 21.725 -1.125 1.00 0.00 N ATOM 1040 NH2 ARG A 854 12.214 22.523 1.030 1.00 0.00 N ATOM 0 H ARG A 854 11.987 15.786 -0.587 1.00 0.00 H new ATOM 0 HA ARG A 854 9.594 15.735 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.429 17.156 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 854 8.902 17.459 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.079 18.219 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 854 11.626 17.833 0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 854 11.305 19.508 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 854 9.654 19.796 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 854 10.850 20.487 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 854 12.032 21.020 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 854 12.864 22.521 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 854 11.901 22.431 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 854 12.790 23.318 0.754 1.00 0.00 H new ATOM 1054 N LYS A 855 9.510 14.323 -2.066 1.00 0.00 N ATOM 1055 CA LYS A 855 8.714 13.508 -2.972 1.00 0.00 C ATOM 1056 C LYS A 855 8.356 12.170 -2.321 1.00 0.00 C ATOM 1057 O LYS A 855 7.246 11.663 -2.492 1.00 0.00 O ATOM 1058 CB LYS A 855 9.473 13.307 -4.292 1.00 0.00 C ATOM 1059 CG LYS A 855 8.680 12.585 -5.375 1.00 0.00 C ATOM 1060 CD LYS A 855 8.977 11.094 -5.397 1.00 0.00 C ATOM 1061 CE LYS A 855 10.417 10.819 -5.793 1.00 0.00 C ATOM 1062 NZ LYS A 855 10.722 9.365 -5.850 1.00 0.00 N ATOM 0 H LYS A 855 10.480 14.445 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 855 7.779 14.024 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 855 9.779 14.282 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.384 12.744 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 855 7.614 12.740 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.917 13.017 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 855 8.782 10.669 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 855 8.305 10.598 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 855 10.615 11.267 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 855 11.085 11.300 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 11.669 9.193 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 10.016 8.840 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 10.694 9.043 -6.839 1.00 0.00 H new ATOM 1076 N LEU A 856 9.291 11.611 -1.567 1.00 0.00 N ATOM 1077 CA LEU A 856 9.034 10.393 -0.811 1.00 0.00 C ATOM 1078 C LEU A 856 7.993 10.652 0.276 1.00 0.00 C ATOM 1079 O LEU A 856 7.063 9.865 0.462 1.00 0.00 O ATOM 1080 CB LEU A 856 10.326 9.858 -0.189 1.00 0.00 C ATOM 1081 CG LEU A 856 11.335 9.276 -1.184 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.637 8.926 -0.482 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.755 8.046 -1.868 1.00 0.00 C ATOM 0 H LEU A 856 10.236 11.981 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 856 8.645 9.641 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.807 10.666 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 856 10.069 9.087 0.537 1.00 0.00 H new ATOM 0 HG LEU A 856 11.545 10.030 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.341 8.514 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 856 13.061 9.824 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.444 8.188 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.483 7.644 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.519 7.290 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.847 8.322 -2.404 1.00 0.00 H new ATOM 1095 N LEU A 857 8.140 11.771 0.976 1.00 0.00 N ATOM 1096 CA LEU A 857 7.192 12.147 2.021 1.00 0.00 C ATOM 1097 C LEU A 857 5.779 12.255 1.458 1.00 0.00 C ATOM 1098 O LEU A 857 4.816 11.802 2.083 1.00 0.00 O ATOM 1099 CB LEU A 857 7.597 13.476 2.664 1.00 0.00 C ATOM 1100 CG LEU A 857 8.956 13.476 3.364 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.237 14.835 3.988 1.00 0.00 C ATOM 1102 CD2 LEU A 857 9.011 12.382 4.419 1.00 0.00 C ATOM 0 H LEU A 857 8.904 12.433 0.840 1.00 0.00 H new ATOM 0 HA LEU A 857 7.207 11.367 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 857 7.604 14.246 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 857 6.833 13.758 3.389 1.00 0.00 H new ATOM 0 HG LEU A 857 9.726 13.276 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.209 14.815 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.241 15.599 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.463 15.066 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.985 12.396 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 857 8.231 12.552 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.856 11.412 3.946 1.00 0.00 H new ATOM 1114 N SER A 858 5.662 12.828 0.269 1.00 0.00 N ATOM 1115 CA SER A 858 4.363 13.006 -0.364 1.00 0.00 C ATOM 1116 C SER A 858 3.804 11.674 -0.860 1.00 0.00 C ATOM 1117 O SER A 858 2.589 11.482 -0.901 1.00 0.00 O ATOM 1118 CB SER A 858 4.457 14.021 -1.507 1.00 0.00 C ATOM 1119 OG SER A 858 5.603 13.793 -2.309 1.00 0.00 O ATOM 0 H SER A 858 6.450 13.177 -0.277 1.00 0.00 H new ATOM 0 HA SER A 858 3.672 13.396 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 858 3.561 13.960 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 858 4.493 15.030 -1.097 1.00 0.00 H new ATOM 0 HG SER A 858 5.897 12.864 -2.203 1.00 0.00 H new ATOM 1125 N ALA A 859 4.692 10.749 -1.213 1.00 0.00 N ATOM 1126 CA ALA A 859 4.277 9.418 -1.639 1.00 0.00 C ATOM 1127 C ALA A 859 3.594 8.686 -0.490 1.00 0.00 C ATOM 1128 O ALA A 859 2.517 8.112 -0.656 1.00 0.00 O ATOM 1129 CB ALA A 859 5.471 8.623 -2.149 1.00 0.00 C ATOM 0 H ALA A 859 5.701 10.897 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 859 3.563 9.521 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 859 5.141 7.632 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.918 9.142 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.209 8.525 -1.353 1.00 0.00 H new ATOM 1135 N ALA A 860 4.221 8.726 0.682 1.00 0.00 N ATOM 1136 CA ALA A 860 3.639 8.135 1.882 1.00 0.00 C ATOM 1137 C ALA A 860 2.348 8.854 2.253 1.00 0.00 C ATOM 1138 O ALA A 860 1.380 8.234 2.695 1.00 0.00 O ATOM 1139 CB ALA A 860 4.631 8.190 3.035 1.00 0.00 C ATOM 0 H ALA A 860 5.132 9.162 0.826 1.00 0.00 H new ATOM 0 HA ALA A 860 3.406 7.090 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.182 7.745 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.531 7.636 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 860 4.892 9.228 3.241 1.00 0.00 H new ATOM 1145 N LYS A 861 2.344 10.169 2.052 1.00 0.00 N ATOM 1146 CA LYS A 861 1.177 11.002 2.324 1.00 0.00 C ATOM 1147 C LYS A 861 -0.025 10.546 1.494 1.00 0.00 C ATOM 1148 O LYS A 861 -1.145 10.447 2.002 1.00 0.00 O ATOM 1149 CB LYS A 861 1.516 12.465 2.019 1.00 0.00 C ATOM 1150 CG LYS A 861 0.366 13.438 2.229 1.00 0.00 C ATOM 1151 CD LYS A 861 0.772 14.854 1.848 1.00 0.00 C ATOM 1152 CE LYS A 861 -0.389 15.825 1.968 1.00 0.00 C ATOM 1153 NZ LYS A 861 0.003 17.208 1.592 1.00 0.00 N ATOM 0 H LYS A 861 3.148 10.686 1.697 1.00 0.00 H new ATOM 0 HA LYS A 861 0.910 10.905 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.352 12.770 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.853 12.538 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 861 -0.491 13.128 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 861 0.051 13.415 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 861 1.589 15.183 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 861 1.148 14.862 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -1.207 15.493 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -0.762 15.819 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -0.818 17.840 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 0.766 17.535 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 0.335 17.219 0.607 1.00 0.00 H new ATOM 1167 N ILE A 862 0.217 10.267 0.219 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.825 9.775 -0.673 1.00 0.00 C ATOM 1169 C ILE A 862 -1.244 8.362 -0.289 1.00 0.00 C ATOM 1170 O ILE A 862 -2.432 8.085 -0.110 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.356 9.785 -2.147 1.00 0.00 C ATOM 1172 CG1 ILE A 862 -0.150 11.222 -2.630 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.347 9.050 -3.044 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.356 11.316 -4.052 1.00 0.00 C ATOM 0 H ILE A 862 1.131 10.374 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.678 10.445 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 862 0.597 9.260 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -1.094 11.761 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.557 11.721 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.992 9.073 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.438 8.015 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.321 9.536 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 862 0.479 12.364 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.316 10.806 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 862 -0.361 10.846 -4.725 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.260 7.482 -0.152 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.508 6.079 0.162 1.00 0.00 C ATOM 1188 C LEU A 863 -1.347 5.916 1.421 1.00 0.00 C ATOM 1189 O LEU A 863 -2.367 5.217 1.413 1.00 0.00 O ATOM 1190 CB LEU A 863 0.816 5.335 0.338 1.00 0.00 C ATOM 1191 CG LEU A 863 0.698 3.963 1.004 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.313 3.095 0.274 1.00 0.00 C ATOM 1193 CD2 LEU A 863 2.056 3.287 1.069 1.00 0.00 C ATOM 0 H LEU A 863 0.727 7.718 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 863 -1.065 5.656 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.279 5.209 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.489 5.955 0.931 1.00 0.00 H new ATOM 0 HG LEU A 863 0.340 4.103 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.381 2.124 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.289 3.580 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 863 0.004 2.958 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 863 1.955 2.312 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.447 3.159 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.742 3.904 1.648 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.917 6.556 2.495 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.566 6.406 3.786 1.00 0.00 C ATOM 1207 C ALA A 864 -3.051 6.738 3.701 1.00 0.00 C ATOM 1208 O ALA A 864 -3.878 6.092 4.347 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.873 7.275 4.819 1.00 0.00 C ATOM 0 H ALA A 864 -0.116 7.188 2.498 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.483 5.364 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.366 7.156 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.171 6.975 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.926 8.319 4.510 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.394 7.724 2.882 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.784 8.133 2.755 1.00 0.00 C ATOM 1217 C ASP A 865 -5.517 7.292 1.723 1.00 0.00 C ATOM 1218 O ASP A 865 -6.723 7.070 1.836 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.902 9.611 2.396 1.00 0.00 C ATOM 1220 CG ASP A 865 -6.293 10.155 2.682 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.536 10.609 3.821 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -7.153 10.129 1.776 1.00 0.00 O ATOM 0 H ASP A 865 -2.738 8.248 2.303 1.00 0.00 H new ATOM 0 HA ASP A 865 -5.250 7.975 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -4.166 10.182 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -4.669 9.748 1.340 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.793 6.828 0.719 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.366 5.925 -0.265 1.00 0.00 C ATOM 1229 C ALA A 866 -5.801 4.644 0.426 1.00 0.00 C ATOM 1230 O ALA A 866 -6.808 4.037 0.068 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.364 5.639 -1.370 1.00 0.00 C ATOM 0 H ALA A 866 -3.812 7.060 0.564 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.238 6.391 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -4.809 4.961 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.090 6.572 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.473 5.178 -0.943 1.00 0.00 H new ATOM 1237 N THR A 867 -5.042 4.266 1.446 1.00 0.00 N ATOM 1238 CA THR A 867 -5.382 3.124 2.276 1.00 0.00 C ATOM 1239 C THR A 867 -6.594 3.449 3.143 1.00 0.00 C ATOM 1240 O THR A 867 -7.484 2.624 3.300 1.00 0.00 O ATOM 1241 CB THR A 867 -4.198 2.722 3.178 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.012 2.586 2.387 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.476 1.411 3.903 1.00 0.00 C ATOM 0 H THR A 867 -4.181 4.740 1.718 1.00 0.00 H new ATOM 0 HA THR A 867 -5.617 2.288 1.617 1.00 0.00 H new ATOM 0 HB THR A 867 -4.060 3.505 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.718 3.470 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.623 1.154 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.364 1.520 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.640 0.619 3.172 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.626 4.663 3.687 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.759 5.121 4.481 1.00 0.00 C ATOM 1253 C ALA A 868 -9.051 5.034 3.677 1.00 0.00 C ATOM 1254 O ALA A 868 -10.024 4.430 4.122 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.528 6.544 4.964 1.00 0.00 C ATOM 0 H ALA A 868 -5.877 5.348 3.591 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.853 4.470 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.383 6.871 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.628 6.578 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.407 7.204 4.105 1.00 0.00 H new ATOM 1261 N LYS A 869 -9.050 5.622 2.482 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.210 5.553 1.600 1.00 0.00 C ATOM 1263 C LYS A 869 -10.557 4.106 1.281 1.00 0.00 C ATOM 1264 O LYS A 869 -11.724 3.719 1.298 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.960 6.320 0.297 1.00 0.00 C ATOM 1266 CG LYS A 869 -10.079 7.829 0.437 1.00 0.00 C ATOM 1267 CD LYS A 869 -9.971 8.518 -0.915 1.00 0.00 C ATOM 1268 CE LYS A 869 -8.550 8.490 -1.453 1.00 0.00 C ATOM 1269 NZ LYS A 869 -7.675 9.477 -0.763 1.00 0.00 N ATOM 0 H LYS A 869 -8.262 6.149 2.105 1.00 0.00 H new ATOM 0 HA LYS A 869 -11.048 6.015 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -8.963 6.077 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.670 5.978 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -11.033 8.080 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -9.296 8.198 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -10.638 8.030 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -10.304 9.552 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -8.135 7.489 -1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -8.563 8.701 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.687 9.324 -1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -7.965 10.441 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.761 9.357 0.266 1.00 0.00 H new ATOM 1283 N MET A 870 -9.532 3.316 0.997 1.00 0.00 N ATOM 1284 CA MET A 870 -9.701 1.902 0.696 1.00 0.00 C ATOM 1285 C MET A 870 -10.353 1.160 1.861 1.00 0.00 C ATOM 1286 O MET A 870 -11.400 0.531 1.707 1.00 0.00 O ATOM 1287 CB MET A 870 -8.338 1.289 0.371 1.00 0.00 C ATOM 1288 CG MET A 870 -8.346 -0.222 0.293 1.00 0.00 C ATOM 1289 SD MET A 870 -9.574 -0.847 -0.858 1.00 0.00 S ATOM 1290 CE MET A 870 -9.275 -2.596 -0.701 1.00 0.00 C ATOM 0 H MET A 870 -8.564 3.635 0.969 1.00 0.00 H new ATOM 0 HA MET A 870 -10.362 1.805 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 870 -7.988 1.690 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.621 1.600 1.131 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.359 -0.572 -0.009 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.540 -0.632 1.284 1.00 0.00 H new ATOM 0 HE1 MET A 870 -10.075 -3.148 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.321 -2.845 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.246 -2.867 0.354 1.00 0.00 H new ATOM 1300 N VAL A 871 -9.732 1.261 3.026 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.186 0.564 4.219 1.00 0.00 C ATOM 1302 C VAL A 871 -11.603 0.984 4.617 1.00 0.00 C ATOM 1303 O VAL A 871 -12.450 0.136 4.893 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.205 0.808 5.390 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -9.771 0.313 6.707 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -7.875 0.132 5.105 1.00 0.00 C ATOM 0 H VAL A 871 -8.898 1.830 3.171 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.210 -0.501 3.989 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.052 1.884 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.053 0.502 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -10.701 0.838 6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -9.966 -0.757 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.191 0.310 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.030 -0.940 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.448 0.541 4.189 1.00 0.00 H new ATOM 1316 N GLU A 872 -11.864 2.288 4.620 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.174 2.797 5.017 1.00 0.00 C ATOM 1318 C GLU A 872 -14.257 2.347 4.041 1.00 0.00 C ATOM 1319 O GLU A 872 -15.353 1.961 4.455 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.157 4.323 5.109 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.176 4.867 6.134 1.00 0.00 C ATOM 1322 CD GLU A 872 -12.437 4.357 7.536 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -13.453 4.760 8.145 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -11.640 3.528 8.026 1.00 0.00 O ATOM 0 H GLU A 872 -11.192 3.007 4.354 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.403 2.387 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -12.909 4.733 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.159 4.673 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.163 4.596 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.227 5.956 6.135 1.00 0.00 H new ATOM 1331 N ALA A 873 -13.946 2.382 2.748 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.894 1.959 1.730 1.00 0.00 C ATOM 1333 C ALA A 873 -15.174 0.467 1.849 1.00 0.00 C ATOM 1334 O ALA A 873 -16.321 0.035 1.742 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.382 2.297 0.337 1.00 0.00 C ATOM 0 H ALA A 873 -13.047 2.698 2.385 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.827 2.500 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -15.109 1.971 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.237 3.374 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.433 1.789 0.165 1.00 0.00 H new ATOM 1341 N ALA A 874 -14.117 -0.306 2.089 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.240 -1.745 2.286 1.00 0.00 C ATOM 1343 C ALA A 874 -15.145 -2.054 3.471 1.00 0.00 C ATOM 1344 O ALA A 874 -16.000 -2.928 3.388 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.867 -2.371 2.484 1.00 0.00 C ATOM 0 H ALA A 874 -13.161 0.045 2.152 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.693 -2.176 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.975 -3.446 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.252 -2.184 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.390 -1.932 3.360 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.955 -1.321 4.567 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.789 -1.477 5.757 1.00 0.00 C ATOM 1353 C LYS A 875 -17.265 -1.333 5.413 1.00 0.00 C ATOM 1354 O LYS A 875 -18.087 -2.171 5.792 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.423 -0.434 6.813 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.063 -0.644 7.448 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.699 0.526 8.343 1.00 0.00 C ATOM 1358 CE LYS A 875 -12.373 0.298 9.039 1.00 0.00 C ATOM 1359 NZ LYS A 875 -11.917 1.507 9.766 1.00 0.00 N ATOM 0 H LYS A 875 -14.228 -0.611 4.655 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.609 -2.477 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.449 0.555 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.182 -0.443 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.067 -1.565 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.308 -0.762 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -13.648 1.438 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -14.482 0.674 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -12.468 -0.532 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -11.621 0.011 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -10.893 1.444 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -12.122 2.353 9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -12.416 1.574 10.676 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.588 -0.266 4.697 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.964 0.001 4.346 1.00 0.00 C ATOM 1375 C GLY A 876 -19.506 -0.981 3.330 1.00 0.00 C ATOM 1376 O GLY A 876 -20.614 -1.487 3.489 1.00 0.00 O ATOM 0 H GLY A 876 -16.917 0.421 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.578 -0.036 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -19.044 1.012 3.947 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.714 -1.262 2.298 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.145 -2.134 1.209 1.00 0.00 C ATOM 1382 C ALA A 877 -19.291 -3.572 1.673 1.00 0.00 C ATOM 1383 O ALA A 877 -20.084 -4.336 1.129 1.00 0.00 O ATOM 1384 CB ALA A 877 -18.161 -2.054 0.051 1.00 0.00 C ATOM 0 H ALA A 877 -17.767 -0.897 2.193 1.00 0.00 H new ATOM 0 HA ALA A 877 -20.123 -1.790 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.493 -2.709 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -18.110 -1.028 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.174 -2.368 0.390 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.512 -3.941 2.672 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.573 -5.280 3.219 1.00 0.00 C ATOM 1392 C ALA A 878 -19.761 -5.428 4.153 1.00 0.00 C ATOM 1393 O ALA A 878 -20.698 -6.167 3.857 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.286 -5.610 3.949 1.00 0.00 C ATOM 0 H ALA A 878 -17.829 -3.330 3.121 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.698 -5.980 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.347 -6.620 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.448 -5.548 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.137 -4.900 4.763 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.721 -4.709 5.271 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.743 -4.830 6.306 1.00 0.00 C ATOM 1402 C ALA A 879 -22.124 -4.507 5.755 1.00 0.00 C ATOM 1403 O ALA A 879 -23.123 -5.118 6.144 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.401 -3.935 7.482 1.00 0.00 C ATOM 0 H ALA A 879 -18.988 -4.033 5.484 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.764 -5.864 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.169 -4.032 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.436 -4.230 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.351 -2.899 7.148 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.183 -3.526 4.869 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.389 -3.260 4.105 1.00 0.00 C ATOM 1412 C HIS A 880 -23.177 -3.708 2.665 1.00 0.00 C ATOM 1413 O HIS A 880 -22.784 -2.914 1.809 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.763 -1.778 4.165 1.00 0.00 C ATOM 1415 CG HIS A 880 -24.153 -1.318 5.534 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.500 -0.310 6.211 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -25.142 -1.738 6.356 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -24.068 -0.133 7.389 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -25.067 -0.986 7.501 1.00 0.00 N ATOM 0 H HIS A 880 -21.406 -2.899 4.661 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.217 -3.821 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.918 -1.183 3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.589 -1.591 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -25.858 -2.520 6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -23.766 0.588 8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -25.684 -1.073 8.308 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.419 -4.997 2.384 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.079 -5.600 1.096 1.00 0.00 C ATOM 1429 C PRO A 881 -23.845 -4.966 -0.062 1.00 0.00 C ATOM 1430 O PRO A 881 -23.309 -4.776 -1.155 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.495 -7.069 1.249 1.00 0.00 C ATOM 1432 CG PRO A 881 -23.649 -7.287 2.714 1.00 0.00 C ATOM 1433 CD PRO A 881 -24.052 -5.965 3.290 1.00 0.00 C ATOM 0 HA PRO A 881 -22.023 -5.464 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -24.428 -7.270 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.742 -7.736 0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -24.403 -8.047 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.716 -7.637 3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -25.136 -5.848 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.699 -5.848 4.315 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.099 -4.620 0.202 1.00 0.00 N ATOM 1442 CA ASP A 882 -26.017 -4.169 -0.841 1.00 0.00 C ATOM 1443 C ASP A 882 -25.753 -2.734 -1.279 1.00 0.00 C ATOM 1444 O ASP A 882 -26.013 -2.388 -2.429 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.466 -4.292 -0.371 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.881 -5.724 -0.125 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -28.081 -6.469 -1.110 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.018 -6.113 1.055 1.00 0.00 O ATOM 0 H ASP A 882 -25.507 -4.643 1.136 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.845 -4.817 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -27.596 -3.718 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -28.125 -3.851 -1.119 1.00 0.00 H new ATOM 1453 N SER A 883 -25.263 -1.898 -0.369 1.00 0.00 N ATOM 1454 CA SER A 883 -25.087 -0.479 -0.667 1.00 0.00 C ATOM 1455 C SER A 883 -24.103 -0.262 -1.818 1.00 0.00 C ATOM 1456 O SER A 883 -22.896 -0.477 -1.679 1.00 0.00 O ATOM 1457 CB SER A 883 -24.654 0.289 0.585 1.00 0.00 C ATOM 1458 OG SER A 883 -23.557 -0.330 1.236 1.00 0.00 O ATOM 0 H SER A 883 -24.983 -2.174 0.572 1.00 0.00 H new ATOM 0 HA SER A 883 -26.051 -0.086 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 883 -24.384 1.308 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 883 -25.494 0.358 1.276 1.00 0.00 H new ATOM 0 HG SER A 883 -23.412 0.094 2.107 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.638 0.179 -2.950 1.00 0.00 N ATOM 1465 CA GLU A 884 -23.864 0.333 -4.170 1.00 0.00 C ATOM 1466 C GLU A 884 -22.901 1.505 -4.081 1.00 0.00 C ATOM 1467 O GLU A 884 -21.857 1.498 -4.722 1.00 0.00 O ATOM 1468 CB GLU A 884 -24.795 0.510 -5.366 1.00 0.00 C ATOM 1469 CG GLU A 884 -25.505 -0.766 -5.769 1.00 0.00 C ATOM 1470 CD GLU A 884 -24.534 -1.854 -6.174 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -23.792 -1.660 -7.156 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -24.520 -2.913 -5.512 1.00 0.00 O ATOM 0 H GLU A 884 -25.620 0.439 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 884 -23.273 -0.573 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -25.538 1.271 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.219 0.880 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -26.117 -1.118 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -26.182 -0.558 -6.598 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.250 2.508 -3.289 1.00 0.00 N ATOM 1480 CA GLU A 885 -22.372 3.656 -3.106 1.00 0.00 C ATOM 1481 C GLU A 885 -21.070 3.220 -2.451 1.00 0.00 C ATOM 1482 O GLU A 885 -19.990 3.699 -2.801 1.00 0.00 O ATOM 1483 CB GLU A 885 -23.052 4.725 -2.258 1.00 0.00 C ATOM 1484 CG GLU A 885 -24.323 5.263 -2.880 1.00 0.00 C ATOM 1485 CD GLU A 885 -24.963 6.341 -2.039 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -25.768 6.002 -1.147 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -24.662 7.528 -2.264 1.00 0.00 O ATOM 0 H GLU A 885 -24.125 2.552 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.153 4.081 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -23.283 4.309 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -22.357 5.549 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -24.099 5.662 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -25.031 4.446 -3.019 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.184 2.287 -1.517 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.024 1.737 -0.843 1.00 0.00 C ATOM 1496 C GLN A 886 -19.221 0.870 -1.800 1.00 0.00 C ATOM 1497 O GLN A 886 -17.996 0.962 -1.853 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.454 0.927 0.377 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.104 1.765 1.465 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.162 2.792 2.062 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -20.585 3.864 2.486 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -18.877 2.474 2.106 1.00 0.00 N ATOM 0 H GLN A 886 -22.074 1.895 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 886 -19.393 2.560 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.152 0.152 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -19.583 0.420 0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -21.975 2.275 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.465 1.108 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -18.562 1.574 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.203 3.129 2.502 1.00 0.00 H new ATOM 1511 N GLN A 887 -19.924 0.036 -2.561 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.289 -0.793 -3.580 1.00 0.00 C ATOM 1513 C GLN A 887 -18.542 0.080 -4.583 1.00 0.00 C ATOM 1514 O GLN A 887 -17.388 -0.180 -4.919 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.338 -1.635 -4.313 1.00 0.00 C ATOM 1516 CG GLN A 887 -21.061 -2.640 -3.431 1.00 0.00 C ATOM 1517 CD GLN A 887 -20.126 -3.657 -2.805 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -19.073 -3.978 -3.355 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.512 -4.184 -1.659 1.00 0.00 N ATOM 0 H GLN A 887 -20.935 -0.083 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.580 -1.458 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -21.074 -0.968 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.852 -2.169 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.591 -2.107 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -21.812 -3.162 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.392 -3.892 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -19.930 -4.884 -1.198 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.214 1.135 -5.030 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.662 2.058 -6.012 1.00 0.00 C ATOM 1530 C GLN A 888 -17.364 2.688 -5.520 1.00 0.00 C ATOM 1531 O GLN A 888 -16.355 2.680 -6.230 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.682 3.155 -6.326 1.00 0.00 C ATOM 1533 CG GLN A 888 -19.246 4.107 -7.427 1.00 0.00 C ATOM 1534 CD GLN A 888 -19.009 3.397 -8.744 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -19.927 3.227 -9.544 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -17.773 2.984 -8.985 1.00 0.00 N ATOM 0 H GLN A 888 -20.156 1.374 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.440 1.491 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.624 2.689 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -19.875 3.728 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -20.008 4.874 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.332 4.616 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -17.038 3.144 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -17.556 2.506 -9.860 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.386 3.234 -4.308 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.211 3.907 -3.771 1.00 0.00 C ATOM 1547 C ARG A 889 -15.102 2.908 -3.462 1.00 0.00 C ATOM 1548 O ARG A 889 -13.928 3.248 -3.537 1.00 0.00 O ATOM 1549 CB ARG A 889 -16.547 4.747 -2.529 1.00 0.00 C ATOM 1550 CG ARG A 889 -17.129 3.964 -1.365 1.00 0.00 C ATOM 1551 CD ARG A 889 -17.434 4.878 -0.187 1.00 0.00 C ATOM 1552 NE ARG A 889 -16.228 5.524 0.330 1.00 0.00 N ATOM 1553 CZ ARG A 889 -16.224 6.527 1.210 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -17.364 7.062 1.629 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -15.067 7.009 1.646 1.00 0.00 N ATOM 0 H ARG A 889 -18.195 3.224 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 889 -15.854 4.591 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -15.640 5.250 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -17.255 5.525 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -18.041 3.459 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -16.427 3.190 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -18.150 5.640 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -17.905 4.300 0.608 1.00 0.00 H new ATOM 0 HE ARG A 889 -15.327 5.184 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -18.253 6.707 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -17.351 7.828 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -14.190 6.613 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -15.055 7.776 2.319 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.479 1.676 -3.137 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.500 0.627 -2.876 1.00 0.00 C ATOM 1571 C LEU A 890 -13.691 0.323 -4.129 1.00 0.00 C ATOM 1572 O LEU A 890 -12.467 0.229 -4.074 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.184 -0.646 -2.380 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.262 -1.860 -2.229 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.173 -1.588 -1.203 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -15.066 -3.089 -1.842 1.00 0.00 C ATOM 0 H LEU A 890 -16.451 1.380 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 890 -13.826 0.987 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.648 -0.439 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.987 -0.902 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.782 -2.047 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.531 -2.464 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.577 -0.733 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.629 -1.372 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.397 -3.943 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.573 -2.908 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.805 -3.298 -2.615 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.380 0.176 -5.253 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.722 -0.123 -6.519 1.00 0.00 C ATOM 1590 C ARG A 891 -12.695 0.959 -6.854 1.00 0.00 C ATOM 1591 O ARG A 891 -11.552 0.658 -7.203 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.756 -0.242 -7.645 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.825 -1.297 -7.392 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.802 -1.388 -8.554 1.00 0.00 C ATOM 1595 NE ARG A 891 -17.953 -2.244 -8.257 1.00 0.00 N ATOM 1596 CZ ARG A 891 -18.721 -2.809 -9.191 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -18.377 -2.732 -10.471 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -19.814 -3.476 -8.846 1.00 0.00 N ATOM 0 H ARG A 891 -15.395 0.259 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.203 -1.077 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.239 0.725 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.240 -0.478 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -15.352 -2.266 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -16.367 -1.056 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.154 -0.388 -8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -16.283 -1.775 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 891 -18.181 -2.419 -7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -17.525 -2.241 -10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -18.965 -3.164 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -20.072 -3.559 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -20.397 -3.906 -9.564 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.101 2.216 -6.714 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.216 3.348 -6.975 1.00 0.00 C ATOM 1614 C GLU A 892 -11.087 3.411 -5.947 1.00 0.00 C ATOM 1615 O GLU A 892 -9.941 3.721 -6.285 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.004 4.660 -6.950 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.025 4.793 -8.068 1.00 0.00 C ATOM 1618 CD GLU A 892 -13.383 4.887 -9.437 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -12.963 6.000 -9.829 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -13.308 3.859 -10.137 1.00 0.00 O ATOM 0 H GLU A 892 -14.042 2.479 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 892 -11.780 3.207 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -13.517 4.745 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.304 5.493 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -14.697 3.935 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -14.634 5.680 -7.895 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.418 3.111 -4.694 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.454 3.186 -3.603 1.00 0.00 C ATOM 1629 C ALA A 893 -9.399 2.097 -3.715 1.00 0.00 C ATOM 1630 O ALA A 893 -8.213 2.366 -3.566 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.159 3.094 -2.259 1.00 0.00 C ATOM 0 H ALA A 893 -12.351 2.813 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 893 -9.952 4.151 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.423 3.152 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -11.866 3.918 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -11.694 2.147 -2.193 1.00 0.00 H new ATOM 1637 N ALA A 894 -9.834 0.872 -3.982 1.00 0.00 N ATOM 1638 CA ALA A 894 -8.918 -0.254 -4.095 1.00 0.00 C ATOM 1639 C ALA A 894 -7.948 -0.051 -5.248 1.00 0.00 C ATOM 1640 O ALA A 894 -6.758 -0.338 -5.127 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.682 -1.556 -4.261 1.00 0.00 C ATOM 0 H ALA A 894 -10.816 0.634 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.341 -0.312 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -8.977 -2.383 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.326 -1.713 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.292 -1.508 -5.163 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.456 0.457 -6.365 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.606 0.756 -7.508 1.00 0.00 C ATOM 1649 C GLU A 895 -6.647 1.890 -7.177 1.00 0.00 C ATOM 1650 O GLU A 895 -5.482 1.857 -7.567 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.437 1.120 -8.735 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.233 -0.039 -9.300 1.00 0.00 C ATOM 1653 CD GLU A 895 -9.739 0.244 -10.695 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -8.931 0.241 -11.643 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -10.958 0.478 -10.848 1.00 0.00 O ATOM 0 H GLU A 895 -9.444 0.669 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.031 -0.141 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.123 1.926 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.774 1.506 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -8.609 -0.933 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -10.078 -0.251 -8.645 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.140 2.881 -6.445 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.303 3.991 -6.039 1.00 0.00 C ATOM 1664 C GLY A 896 -5.252 3.568 -5.033 1.00 0.00 C ATOM 1665 O GLY A 896 -4.118 4.039 -5.078 1.00 0.00 O ATOM 0 H GLY A 896 -8.107 2.935 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -5.815 4.418 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -6.925 4.775 -5.607 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.635 2.675 -4.130 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.717 2.115 -3.147 1.00 0.00 C ATOM 1671 C LEU A 897 -3.661 1.269 -3.851 1.00 0.00 C ATOM 1672 O LEU A 897 -2.465 1.395 -3.572 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.507 1.287 -2.115 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.707 0.673 -0.952 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.095 -0.659 -1.350 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.625 1.630 -0.474 1.00 0.00 C ATOM 0 H LEU A 897 -6.588 2.319 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.205 2.919 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.284 1.924 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.011 0.478 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.401 0.497 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.536 -1.069 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.887 -1.353 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.423 -0.512 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.073 1.174 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -2.941 1.845 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -4.085 2.557 -0.132 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.102 0.414 -4.770 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.185 -0.395 -5.558 1.00 0.00 C ATOM 1690 C ARG A 898 -2.242 0.502 -6.347 1.00 0.00 C ATOM 1691 O ARG A 898 -1.032 0.293 -6.344 1.00 0.00 O ATOM 1692 CB ARG A 898 -3.951 -1.338 -6.498 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.049 -2.111 -7.451 1.00 0.00 C ATOM 1694 CD ARG A 898 -3.645 -3.456 -7.843 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.873 -3.335 -8.629 1.00 0.00 N ATOM 1696 CZ ARG A 898 -5.629 -4.378 -8.980 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -5.270 -5.607 -8.635 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -6.734 -4.200 -9.694 1.00 0.00 N ATOM 0 H ARG A 898 -5.088 0.266 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.596 -1.010 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -4.526 -2.045 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.667 -0.756 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.877 -1.516 -8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -2.078 -2.269 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -2.909 -4.019 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -3.854 -4.030 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 898 -5.167 -2.404 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -4.415 -5.757 -8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -5.849 -6.402 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -7.011 -3.261 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -7.306 -5.003 -9.958 1.00 0.00 H new ATOM 1712 N MET A 899 -2.805 1.518 -6.989 1.00 0.00 N ATOM 1713 CA MET A 899 -2.026 2.485 -7.753 1.00 0.00 C ATOM 1714 C MET A 899 -1.036 3.224 -6.854 1.00 0.00 C ATOM 1715 O MET A 899 0.121 3.422 -7.221 1.00 0.00 O ATOM 1716 CB MET A 899 -2.962 3.489 -8.430 1.00 0.00 C ATOM 1717 CG MET A 899 -2.256 4.490 -9.330 1.00 0.00 C ATOM 1718 SD MET A 899 -1.474 3.712 -10.757 1.00 0.00 S ATOM 1719 CE MET A 899 -2.897 2.948 -11.535 1.00 0.00 C ATOM 0 H MET A 899 -3.810 1.695 -6.995 1.00 0.00 H new ATOM 0 HA MET A 899 -1.461 1.945 -8.513 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.697 2.942 -9.020 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.511 4.033 -7.661 1.00 0.00 H new ATOM 0 HG2 MET A 899 -2.975 5.233 -9.675 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.501 5.022 -8.752 1.00 0.00 H new ATOM 0 HE1 MET A 899 -2.780 2.980 -12.618 1.00 0.00 H new ATOM 0 HE2 MET A 899 -2.977 1.911 -11.209 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.800 3.488 -11.252 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.501 3.634 -5.678 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.661 4.353 -4.728 1.00 0.00 C ATOM 1731 C ALA A 900 0.506 3.491 -4.275 1.00 0.00 C ATOM 1732 O ALA A 900 1.657 3.922 -4.300 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.475 4.810 -3.529 1.00 0.00 C ATOM 0 H ALA A 900 -2.458 3.480 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.262 5.233 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -0.829 5.344 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.274 5.472 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -1.907 3.942 -3.030 1.00 0.00 H new ATOM 1739 N THR A 901 0.192 2.267 -3.879 1.00 0.00 N ATOM 1740 CA THR A 901 1.192 1.325 -3.406 1.00 0.00 C ATOM 1741 C THR A 901 2.166 0.955 -4.521 1.00 0.00 C ATOM 1742 O THR A 901 3.381 1.017 -4.346 1.00 0.00 O ATOM 1743 CB THR A 901 0.515 0.056 -2.873 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.455 0.411 -1.882 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.536 -0.898 -2.280 1.00 0.00 C ATOM 0 H THR A 901 -0.760 1.901 -3.877 1.00 0.00 H new ATOM 0 HA THR A 901 1.750 1.804 -2.601 1.00 0.00 H new ATOM 0 HB THR A 901 0.022 -0.449 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.254 0.771 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 901 1.029 -1.789 -1.910 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.256 -1.183 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 901 2.057 -0.408 -1.457 1.00 0.00 H new ATOM 1753 N ASN A 902 1.610 0.570 -5.662 1.00 0.00 N ATOM 1754 CA ASN A 902 2.387 0.222 -6.842 1.00 0.00 C ATOM 1755 C ASN A 902 3.388 1.327 -7.175 1.00 0.00 C ATOM 1756 O ASN A 902 4.579 1.074 -7.335 1.00 0.00 O ATOM 1757 CB ASN A 902 1.450 -0.001 -8.036 1.00 0.00 C ATOM 1758 CG ASN A 902 2.188 -0.375 -9.309 1.00 0.00 C ATOM 1759 OD1 ASN A 902 2.657 0.491 -10.048 1.00 0.00 O ATOM 1760 ND2 ASN A 902 2.269 -1.664 -9.592 1.00 0.00 N ATOM 0 H ASN A 902 0.602 0.490 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 902 2.937 -0.696 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.739 -0.790 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.872 0.906 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.732 -1.970 -10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 902 1.868 -2.352 -8.955 1.00 0.00 H new ATOM 1767 N ALA A 903 2.892 2.561 -7.257 1.00 0.00 N ATOM 1768 CA ALA A 903 3.734 3.706 -7.581 1.00 0.00 C ATOM 1769 C ALA A 903 4.750 3.974 -6.480 1.00 0.00 C ATOM 1770 O ALA A 903 5.905 4.259 -6.765 1.00 0.00 O ATOM 1771 CB ALA A 903 2.890 4.945 -7.829 1.00 0.00 C ATOM 0 H ALA A 903 1.910 2.791 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 903 4.278 3.465 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.540 5.786 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 903 2.211 4.762 -8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 903 2.312 5.177 -6.934 1.00 0.00 H new ATOM 1777 N ALA A 904 4.315 3.874 -5.225 1.00 0.00 N ATOM 1778 CA ALA A 904 5.206 4.089 -4.085 1.00 0.00 C ATOM 1779 C ALA A 904 6.334 3.062 -4.065 1.00 0.00 C ATOM 1780 O ALA A 904 7.426 3.332 -3.566 1.00 0.00 O ATOM 1781 CB ALA A 904 4.424 4.040 -2.780 1.00 0.00 C ATOM 0 H ALA A 904 3.354 3.646 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 904 5.651 5.078 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.103 4.202 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 904 3.661 4.818 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 904 3.948 3.065 -2.678 1.00 0.00 H new ATOM 1787 N ALA A 905 6.062 1.887 -4.618 1.00 0.00 N ATOM 1788 CA ALA A 905 7.057 0.831 -4.707 1.00 0.00 C ATOM 1789 C ALA A 905 8.203 1.232 -5.637 1.00 0.00 C ATOM 1790 O ALA A 905 9.374 1.157 -5.266 1.00 0.00 O ATOM 1791 CB ALA A 905 6.401 -0.457 -5.177 1.00 0.00 C ATOM 0 H ALA A 905 5.154 1.642 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 905 7.481 0.668 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 905 7.151 -1.245 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.627 -0.751 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.954 -0.300 -6.159 1.00 0.00 H new ATOM 1797 N GLN A 906 7.853 1.678 -6.841 1.00 0.00 N ATOM 1798 CA GLN A 906 8.844 2.158 -7.803 1.00 0.00 C ATOM 1799 C GLN A 906 9.373 3.527 -7.389 1.00 0.00 C ATOM 1800 O GLN A 906 10.448 3.949 -7.813 1.00 0.00 O ATOM 1801 CB GLN A 906 8.261 2.245 -9.219 1.00 0.00 C ATOM 1802 CG GLN A 906 8.056 0.901 -9.907 1.00 0.00 C ATOM 1803 CD GLN A 906 6.857 0.136 -9.380 1.00 0.00 C ATOM 1804 OE1 GLN A 906 6.967 -0.655 -8.446 1.00 0.00 O ATOM 1805 NE2 GLN A 906 5.706 0.365 -9.988 1.00 0.00 N ATOM 0 H GLN A 906 6.890 1.717 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 906 9.662 1.438 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 906 7.303 2.763 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 906 8.924 2.855 -9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 906 7.933 1.063 -10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 906 8.952 0.294 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 906 5.660 1.031 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 906 4.863 -0.124 -9.686 1.00 0.00 H new ATOM 1814 N ASN A 907 8.586 4.223 -6.578 1.00 0.00 N ATOM 1815 CA ASN A 907 8.931 5.557 -6.090 1.00 0.00 C ATOM 1816 C ASN A 907 10.215 5.518 -5.269 1.00 0.00 C ATOM 1817 O ASN A 907 10.889 6.539 -5.103 1.00 0.00 O ATOM 1818 CB ASN A 907 7.793 6.096 -5.222 1.00 0.00 C ATOM 1819 CG ASN A 907 7.765 7.606 -5.148 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.452 8.217 -4.331 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.950 8.213 -5.995 1.00 0.00 N ATOM 0 H ASN A 907 7.688 3.879 -6.238 1.00 0.00 H new ATOM 0 HA ASN A 907 9.085 6.209 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 907 6.842 5.740 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 907 7.890 5.691 -4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 907 6.872 9.230 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 907 6.399 7.664 -6.655 1.00 0.00 H new ATOM 1828 N ALA A 908 10.540 4.335 -4.755 1.00 0.00 N ATOM 1829 CA ALA A 908 11.742 4.139 -3.964 1.00 0.00 C ATOM 1830 C ALA A 908 12.990 4.256 -4.827 1.00 0.00 C ATOM 1831 O ALA A 908 13.504 3.261 -5.336 1.00 0.00 O ATOM 1832 CB ALA A 908 11.710 2.786 -3.274 1.00 0.00 C ATOM 0 H ALA A 908 9.978 3.492 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 908 11.775 4.922 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.618 2.656 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.842 2.733 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.647 1.997 -4.023 1.00 0.00 H new ATOM 1838 N ILE A 909 13.451 5.478 -5.018 1.00 0.00 N ATOM 1839 CA ILE A 909 14.676 5.726 -5.752 1.00 0.00 C ATOM 1840 C ILE A 909 15.693 6.409 -4.854 1.00 0.00 C ATOM 1841 O ILE A 909 15.561 7.593 -4.544 1.00 0.00 O ATOM 1842 CB ILE A 909 14.423 6.592 -7.002 1.00 0.00 C ATOM 1843 CG1 ILE A 909 13.459 5.879 -7.949 1.00 0.00 C ATOM 1844 CG2 ILE A 909 15.734 6.914 -7.713 1.00 0.00 C ATOM 1845 CD1 ILE A 909 13.980 4.554 -8.468 1.00 0.00 C ATOM 0 H ILE A 909 12.991 6.320 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 909 15.066 4.763 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 909 13.972 7.532 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 909 12.515 5.710 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 909 13.246 6.532 -8.795 1.00 0.00 H new ATOM 0 HG21 ILE A 909 15.531 7.526 -8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 909 16.391 7.459 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 909 16.218 5.987 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 909 13.241 4.108 -9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 909 14.909 4.717 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 909 14.166 3.882 -7.630 1.00 0.00 H new ATOM 1857 N LYS A 910 16.686 5.651 -4.418 1.00 0.00 N ATOM 1858 CA LYS A 910 17.734 6.179 -3.557 1.00 0.00 C ATOM 1859 C LYS A 910 18.894 5.199 -3.491 1.00 0.00 C ATOM 1860 O LYS A 910 18.899 4.303 -2.647 1.00 0.00 O ATOM 1861 CB LYS A 910 17.197 6.436 -2.145 1.00 0.00 C ATOM 1862 CG LYS A 910 18.192 7.133 -1.233 1.00 0.00 C ATOM 1863 CD LYS A 910 17.715 7.175 0.211 1.00 0.00 C ATOM 1864 CE LYS A 910 17.987 5.866 0.942 1.00 0.00 C ATOM 1865 NZ LYS A 910 17.158 4.743 0.435 1.00 0.00 N ATOM 0 H LYS A 910 16.789 4.662 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 910 18.080 7.124 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 910 16.294 7.042 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 910 16.910 5.485 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 910 19.151 6.617 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 910 18.358 8.150 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 910 18.213 7.992 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 910 16.646 7.387 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 910 19.041 5.609 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 910 17.795 6.002 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 910 17.077 4.012 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 910 16.210 5.094 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 910 17.605 4.336 -0.411 1.00 0.00 H new ATOM 1879 N LYS A 911 19.853 5.365 -4.395 1.00 0.00 N ATOM 1880 CA LYS A 911 21.014 4.481 -4.482 1.00 0.00 C ATOM 1881 C LYS A 911 20.585 3.018 -4.599 1.00 0.00 C ATOM 1882 O LYS A 911 20.638 2.290 -3.582 1.00 0.00 O ATOM 1883 CB LYS A 911 21.934 4.664 -3.270 1.00 0.00 C ATOM 1884 CG LYS A 911 22.506 6.065 -3.134 1.00 0.00 C ATOM 1885 CD LYS A 911 23.540 6.133 -2.021 1.00 0.00 C ATOM 1886 CE LYS A 911 24.729 5.232 -2.318 1.00 0.00 C ATOM 1887 NZ LYS A 911 25.740 5.262 -1.229 1.00 0.00 N ATOM 1888 OXT LYS A 911 20.190 2.604 -5.709 1.00 0.00 O ATOM 0 H LYS A 911 19.850 6.114 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 911 21.566 4.752 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 911 21.378 4.420 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 911 22.756 3.952 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 911 22.963 6.367 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 911 21.701 6.771 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 911 23.881 7.161 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 911 23.082 5.836 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 911 24.381 4.209 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 911 25.195 5.544 -3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 911 26.532 4.634 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 911 26.092 6.233 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 911 25.304 4.940 -0.342 1.00 0.00 H new TER 1902 LYS A 911