USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD Single : A 836 SER OG : rot 180:sc= 0 USER MOD Single : A 840 THR OG1 : rot 33:sc= -0.122! USER MOD Single : A 842 CYS SG : rot 180:sc= 0 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0481 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -89:sc= -2.57! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 885 MET CE :methyl -152:sc= -34.3! (180deg=-40.4!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 THR OG1 : rot -160:sc= -2.88! USER MOD Single : A 890 HIS : no HD1:sc= -16.9! C(o=-17!,f=-20!) USER MOD Single : A 894 SER OG : rot 180:sc= -0.161 USER MOD Single : A 897 LYS NZ :NH3+ 157:sc= -19.5! (180deg=-21.3!) USER MOD Single : A 898 ASN : amide:sc= -18.3! C(o=-18!,f=-22!) USER MOD Single : A 902 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.63) USER MOD Single : A 903 GLN : amide:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 905 SER OG : rot 180:sc= -0.839! USER MOD Single : A 912 CYS SG : rot -168:sc= -12.8! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 835 -12.853 -4.314 12.319 1.00 0.00 N ATOM 2 CA GLY A 835 -11.913 -4.424 11.222 1.00 0.00 C ATOM 3 C GLY A 835 -12.319 -3.499 10.084 1.00 0.00 C ATOM 4 O GLY A 835 -13.498 -3.399 9.752 1.00 0.00 O ATOM 0 HA2 GLY A 835 -10.911 -4.170 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 835 -11.877 -5.454 10.867 1.00 0.00 H new ATOM 8 N SER A 836 -11.337 -2.820 9.486 1.00 0.00 N ATOM 9 CA SER A 836 -11.597 -1.909 8.390 1.00 0.00 C ATOM 10 C SER A 836 -11.465 -2.644 7.064 1.00 0.00 C ATOM 11 O SER A 836 -12.394 -2.651 6.259 1.00 0.00 O ATOM 12 CB SER A 836 -10.620 -0.739 8.459 1.00 0.00 C ATOM 13 OG SER A 836 -11.242 0.423 7.960 1.00 0.00 O ATOM 0 H SER A 836 -10.354 -2.891 9.750 1.00 0.00 H new ATOM 0 HA SER A 836 -12.613 -1.522 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 836 -10.300 -0.579 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 836 -9.726 -0.964 7.878 1.00 0.00 H new ATOM 0 HG SER A 836 -10.615 1.175 8.006 1.00 0.00 H new ATOM 19 N ALA A 837 -10.305 -3.267 6.838 1.00 0.00 N ATOM 20 CA ALA A 837 -10.057 -4.001 5.614 1.00 0.00 C ATOM 21 C ALA A 837 -11.288 -4.815 5.242 1.00 0.00 C ATOM 22 O ALA A 837 -11.863 -4.621 4.173 1.00 0.00 O ATOM 23 CB ALA A 837 -8.845 -4.909 5.803 1.00 0.00 C ATOM 0 H ALA A 837 -9.525 -3.272 7.496 1.00 0.00 H new ATOM 0 HA ALA A 837 -9.849 -3.303 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.657 -5.462 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.972 -4.304 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.039 -5.610 6.614 1.00 0.00 H new ATOM 29 N ASP A 838 -11.692 -5.728 6.128 1.00 0.00 N ATOM 30 CA ASP A 838 -12.850 -6.565 5.889 1.00 0.00 C ATOM 31 C ASP A 838 -14.009 -5.712 5.394 1.00 0.00 C ATOM 32 O ASP A 838 -14.737 -6.116 4.490 1.00 0.00 O ATOM 33 CB ASP A 838 -13.226 -7.293 7.176 1.00 0.00 C ATOM 34 CG ASP A 838 -12.001 -7.931 7.817 1.00 0.00 C ATOM 35 OD1 ASP A 838 -10.981 -8.044 7.103 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.108 -8.294 9.008 1.00 0.00 O ATOM 0 H ASP A 838 -11.226 -5.900 7.019 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.616 -7.305 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -13.684 -6.592 7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.970 -8.060 6.961 1.00 0.00 H new ATOM 41 N GLU A 839 -14.180 -4.529 5.988 1.00 0.00 N ATOM 42 CA GLU A 839 -15.248 -3.629 5.602 1.00 0.00 C ATOM 43 C GLU A 839 -14.907 -2.955 4.281 1.00 0.00 C ATOM 44 O GLU A 839 -15.800 -2.548 3.540 1.00 0.00 O ATOM 45 CB GLU A 839 -15.459 -2.591 6.701 1.00 0.00 C ATOM 46 CG GLU A 839 -16.742 -2.909 7.463 1.00 0.00 C ATOM 47 CD GLU A 839 -17.770 -1.802 7.283 1.00 0.00 C ATOM 48 OE1 GLU A 839 -18.317 -1.711 6.162 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.989 -1.066 8.269 1.00 0.00 O ATOM 0 H GLU A 839 -13.586 -4.179 6.740 1.00 0.00 H new ATOM 0 HA GLU A 839 -16.172 -4.192 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -14.609 -2.591 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -15.519 -1.593 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -17.154 -3.854 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -16.519 -3.034 8.522 1.00 0.00 H new ATOM 56 N THR A 840 -13.611 -2.837 3.986 1.00 0.00 N ATOM 57 CA THR A 840 -13.163 -2.215 2.756 1.00 0.00 C ATOM 58 C THR A 840 -13.251 -3.211 1.609 1.00 0.00 C ATOM 59 O THR A 840 -13.800 -2.900 0.554 1.00 0.00 O ATOM 60 CB THR A 840 -11.732 -1.717 2.931 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.568 -1.205 4.235 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.448 -0.615 1.913 1.00 0.00 C ATOM 0 H THR A 840 -12.858 -3.168 4.589 1.00 0.00 H new ATOM 0 HA THR A 840 -13.804 -1.365 2.521 1.00 0.00 H new ATOM 0 HB THR A 840 -11.039 -2.544 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 840 -12.135 -1.707 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.425 -0.259 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.574 -1.010 0.905 1.00 0.00 H new ATOM 0 HG23 THR A 840 -12.141 0.211 2.068 1.00 0.00 H new ATOM 70 N LEU A 841 -12.708 -4.412 1.817 1.00 0.00 N ATOM 71 CA LEU A 841 -12.727 -5.447 0.803 1.00 0.00 C ATOM 72 C LEU A 841 -14.157 -5.915 0.569 1.00 0.00 C ATOM 73 O LEU A 841 -14.405 -6.755 -0.293 1.00 0.00 O ATOM 74 CB LEU A 841 -11.844 -6.610 1.247 1.00 0.00 C ATOM 75 CG LEU A 841 -10.394 -6.319 0.872 1.00 0.00 C ATOM 76 CD1 LEU A 841 -10.091 -6.923 -0.496 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.175 -4.809 0.822 1.00 0.00 C ATOM 0 H LEU A 841 -12.249 -4.685 2.686 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.338 -5.049 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.930 -6.756 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.175 -7.534 0.773 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.731 -6.758 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.055 -6.715 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -10.247 -8.001 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.754 -6.485 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.139 -4.600 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -10.838 -4.370 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.391 -4.377 1.799 1.00 0.00 H new ATOM 89 N CYS A 842 -15.098 -5.368 1.342 1.00 0.00 N ATOM 90 CA CYS A 842 -16.497 -5.725 1.220 1.00 0.00 C ATOM 91 C CYS A 842 -16.951 -5.522 -0.219 1.00 0.00 C ATOM 92 O CYS A 842 -18.073 -5.879 -0.572 1.00 0.00 O ATOM 93 CB CYS A 842 -17.326 -4.872 2.176 1.00 0.00 C ATOM 94 SG CYS A 842 -18.826 -5.784 2.617 1.00 0.00 S ATOM 0 H CYS A 842 -14.905 -4.672 2.062 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.636 -6.774 1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.749 -4.639 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.585 -3.923 1.707 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.543 -5.071 3.434 1.00 0.00 H new ATOM 100 N GLN A 843 -16.077 -4.948 -1.049 1.00 0.00 N ATOM 101 CA GLN A 843 -16.395 -4.701 -2.441 1.00 0.00 C ATOM 102 C GLN A 843 -15.474 -5.520 -3.334 1.00 0.00 C ATOM 103 O GLN A 843 -14.654 -4.963 -4.061 1.00 0.00 O ATOM 104 CB GLN A 843 -16.251 -3.211 -2.737 1.00 0.00 C ATOM 105 CG GLN A 843 -16.737 -2.403 -1.537 1.00 0.00 C ATOM 106 CD GLN A 843 -17.980 -1.600 -1.891 1.00 0.00 C ATOM 107 OE1 GLN A 843 -19.099 -2.044 -1.644 1.00 0.00 O ATOM 108 NE2 GLN A 843 -17.781 -0.414 -2.471 1.00 0.00 N ATOM 0 H GLN A 843 -15.142 -4.648 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.423 -5.001 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.210 -2.971 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -16.828 -2.948 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.957 -3.074 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.947 -1.730 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -16.832 -0.089 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -18.578 0.167 -2.730 1.00 0.00 H new ATOM 117 N THR A 844 -15.611 -6.847 -3.281 1.00 0.00 N ATOM 118 CA THR A 844 -14.792 -7.730 -4.086 1.00 0.00 C ATOM 119 C THR A 844 -13.349 -7.680 -3.606 1.00 0.00 C ATOM 120 O THR A 844 -12.870 -8.616 -2.970 1.00 0.00 O ATOM 121 CB THR A 844 -14.889 -7.316 -5.551 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.332 -8.412 -6.320 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.516 -6.870 -6.046 1.00 0.00 C ATOM 0 H THR A 844 -16.286 -7.326 -2.685 1.00 0.00 H new ATOM 0 HA THR A 844 -15.150 -8.755 -3.986 1.00 0.00 H new ATOM 0 HB THR A 844 -15.596 -6.492 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.396 -8.147 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.585 -6.574 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.172 -6.023 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.809 -7.693 -5.948 1.00 0.00 H new ATOM 131 N LYS A 845 -12.655 -6.581 -3.912 1.00 0.00 N ATOM 132 CA LYS A 845 -11.272 -6.415 -3.511 1.00 0.00 C ATOM 133 C LYS A 845 -10.956 -4.936 -3.342 1.00 0.00 C ATOM 134 O LYS A 845 -9.841 -4.576 -2.969 1.00 0.00 O ATOM 135 CB LYS A 845 -10.360 -7.047 -4.559 1.00 0.00 C ATOM 136 CG LYS A 845 -10.241 -8.545 -4.293 1.00 0.00 C ATOM 137 CD LYS A 845 -9.442 -8.773 -3.014 1.00 0.00 C ATOM 138 CE LYS A 845 -10.335 -9.435 -1.968 1.00 0.00 C ATOM 139 NZ LYS A 845 -10.400 -10.890 -2.174 1.00 0.00 N ATOM 0 H LYS A 845 -13.037 -5.795 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.105 -6.912 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -10.762 -6.875 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.375 -6.582 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -11.232 -8.988 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.751 -9.036 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -8.577 -9.403 -3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.062 -7.824 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -9.951 -9.222 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.338 -9.012 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -11.013 -11.316 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -10.788 -11.090 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -9.445 -11.294 -2.100 1.00 0.00 H new ATOM 153 N VAL A 846 -11.941 -4.079 -3.618 1.00 0.00 N ATOM 154 CA VAL A 846 -11.765 -2.646 -3.496 1.00 0.00 C ATOM 155 C VAL A 846 -10.394 -2.249 -4.025 1.00 0.00 C ATOM 156 O VAL A 846 -9.375 -2.731 -3.535 1.00 0.00 O ATOM 157 CB VAL A 846 -11.919 -2.238 -2.033 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.386 -1.930 -1.743 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.452 -3.379 -1.135 1.00 0.00 C ATOM 0 H VAL A 846 -12.870 -4.363 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.524 -2.130 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.316 -1.352 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.497 -1.639 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.720 -1.115 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -13.989 -2.816 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.562 -3.088 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.055 -4.266 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.405 -3.600 -1.342 1.00 0.00 H new ATOM 169 N LEU A 847 -10.371 -1.368 -5.027 1.00 0.00 N ATOM 170 CA LEU A 847 -9.128 -0.911 -5.616 1.00 0.00 C ATOM 171 C LEU A 847 -9.305 0.494 -6.172 1.00 0.00 C ATOM 172 O LEU A 847 -9.142 0.716 -7.370 1.00 0.00 O ATOM 173 CB LEU A 847 -8.702 -1.878 -6.717 1.00 0.00 C ATOM 174 CG LEU A 847 -8.956 -3.312 -6.261 1.00 0.00 C ATOM 175 CD1 LEU A 847 -7.975 -3.674 -5.151 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.385 -3.434 -5.738 1.00 0.00 C ATOM 0 H LEU A 847 -11.208 -0.960 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.350 -0.882 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.258 -1.672 -7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -7.646 -1.740 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.818 -3.991 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.156 -4.698 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -6.955 -3.587 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.112 -2.996 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.567 -4.458 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.524 -2.755 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.086 -3.176 -6.532 1.00 0.00 H new ATOM 188 N LEU A 848 -9.640 1.446 -5.297 1.00 0.00 N ATOM 189 CA LEU A 848 -9.837 2.823 -5.703 1.00 0.00 C ATOM 190 C LEU A 848 -8.516 3.418 -6.171 1.00 0.00 C ATOM 191 O LEU A 848 -7.524 2.705 -6.306 1.00 0.00 O ATOM 192 CB LEU A 848 -10.405 3.622 -4.533 1.00 0.00 C ATOM 193 CG LEU A 848 -11.925 3.676 -4.646 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.523 4.034 -3.288 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.322 4.734 -5.671 1.00 0.00 C ATOM 0 H LEU A 848 -9.779 1.278 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.544 2.863 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.116 3.160 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.993 4.631 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.301 2.703 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.609 4.073 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.240 3.279 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.148 5.007 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.408 4.773 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.947 5.707 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.895 4.479 -6.641 1.00 0.00 H new ATOM 207 N ASP A 849 -8.505 4.730 -6.419 1.00 0.00 N ATOM 208 CA ASP A 849 -7.309 5.412 -6.871 1.00 0.00 C ATOM 209 C ASP A 849 -6.587 6.027 -5.681 1.00 0.00 C ATOM 210 O ASP A 849 -6.298 7.221 -5.677 1.00 0.00 O ATOM 211 CB ASP A 849 -7.690 6.486 -7.886 1.00 0.00 C ATOM 212 CG ASP A 849 -8.768 7.404 -7.329 1.00 0.00 C ATOM 213 OD1 ASP A 849 -8.418 8.223 -6.452 1.00 0.00 O ATOM 214 OD2 ASP A 849 -9.922 7.268 -7.789 1.00 0.00 O ATOM 0 H ASP A 849 -9.319 5.336 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.638 4.700 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -6.809 7.071 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -8.046 6.015 -8.803 1.00 0.00 H new ATOM 219 N ILE A 850 -6.296 5.207 -4.668 1.00 0.00 N ATOM 220 CA ILE A 850 -5.609 5.671 -3.479 1.00 0.00 C ATOM 221 C ILE A 850 -4.118 5.795 -3.761 1.00 0.00 C ATOM 222 O ILE A 850 -3.653 6.845 -4.199 1.00 0.00 O ATOM 223 CB ILE A 850 -5.864 4.697 -2.332 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.667 3.505 -2.845 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.649 5.403 -1.231 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.101 3.944 -3.132 1.00 0.00 C ATOM 0 H ILE A 850 -6.531 4.214 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.988 6.653 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.911 4.348 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.209 3.107 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.661 2.704 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.832 4.708 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -6.076 6.254 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.602 5.752 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -8.675 3.093 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.556 4.322 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.097 4.731 -3.886 1.00 0.00 H new ATOM 238 N PHE A 851 -3.369 4.719 -3.510 1.00 0.00 N ATOM 239 CA PHE A 851 -1.938 4.716 -3.739 1.00 0.00 C ATOM 240 C PHE A 851 -1.644 5.111 -5.179 1.00 0.00 C ATOM 241 O PHE A 851 -0.582 4.791 -5.709 1.00 0.00 O ATOM 242 CB PHE A 851 -1.378 3.329 -3.433 1.00 0.00 C ATOM 243 CG PHE A 851 -2.035 2.662 -2.249 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.142 3.344 -1.031 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.541 1.362 -2.370 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.753 2.725 0.066 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.152 0.743 -1.273 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.258 1.425 -0.054 1.00 0.00 C ATOM 0 H PHE A 851 -3.739 3.840 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.459 5.441 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.500 2.695 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.307 3.411 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.753 4.347 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.460 0.837 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.835 3.251 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.541 -0.260 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.729 0.948 0.793 1.00 0.00 H new ATOM 258 N THR A 852 -2.588 5.810 -5.813 1.00 0.00 N ATOM 259 CA THR A 852 -2.422 6.244 -7.186 1.00 0.00 C ATOM 260 C THR A 852 -0.982 6.675 -7.422 1.00 0.00 C ATOM 261 O THR A 852 -0.570 7.745 -6.978 1.00 0.00 O ATOM 262 CB THR A 852 -3.385 7.391 -7.476 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.898 7.255 -8.782 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.644 8.720 -7.356 1.00 0.00 C ATOM 0 H THR A 852 -3.474 6.084 -5.389 1.00 0.00 H new ATOM 0 HA THR A 852 -2.647 5.419 -7.861 1.00 0.00 H new ATOM 0 HB THR A 852 -4.206 7.367 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.518 7.991 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.332 9.540 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.247 8.825 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.823 8.745 -8.073 1.00 0.00 H new ATOM 272 N GLY A 853 -0.214 5.840 -8.126 1.00 0.00 N ATOM 273 CA GLY A 853 1.173 6.143 -8.415 1.00 0.00 C ATOM 274 C GLY A 853 2.019 5.993 -7.159 1.00 0.00 C ATOM 275 O GLY A 853 3.219 6.257 -7.180 1.00 0.00 O ATOM 0 H GLY A 853 -0.538 4.949 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.544 5.476 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.258 7.159 -8.800 1.00 0.00 H new ATOM 279 N VAL A 854 1.389 5.568 -6.061 1.00 0.00 N ATOM 280 CA VAL A 854 2.083 5.386 -4.803 1.00 0.00 C ATOM 281 C VAL A 854 2.823 4.056 -4.811 1.00 0.00 C ATOM 282 O VAL A 854 2.205 2.998 -4.717 1.00 0.00 O ATOM 283 CB VAL A 854 1.078 5.438 -3.656 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.667 4.745 -2.431 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.769 6.893 -3.317 1.00 0.00 C ATOM 0 H VAL A 854 0.394 5.345 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 854 2.812 6.185 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 854 0.160 4.931 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.949 4.782 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.889 3.705 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.585 5.252 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.051 6.931 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.687 7.400 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.348 7.389 -4.192 1.00 0.00 H new ATOM 295 N ARG A 855 4.152 4.111 -4.924 1.00 0.00 N ATOM 296 CA ARG A 855 4.969 2.914 -4.945 1.00 0.00 C ATOM 297 C ARG A 855 5.489 2.620 -3.545 1.00 0.00 C ATOM 298 O ARG A 855 6.564 3.083 -3.171 1.00 0.00 O ATOM 299 CB ARG A 855 6.126 3.106 -5.922 1.00 0.00 C ATOM 300 CG ARG A 855 7.292 3.779 -5.204 1.00 0.00 C ATOM 301 CD ARG A 855 8.302 4.281 -6.232 1.00 0.00 C ATOM 302 NE ARG A 855 7.630 4.960 -7.340 1.00 0.00 N ATOM 303 CZ ARG A 855 8.068 6.116 -7.855 1.00 0.00 C ATOM 304 NH1 ARG A 855 9.166 6.699 -7.356 1.00 0.00 N ATOM 305 NH2 ARG A 855 7.408 6.691 -8.871 1.00 0.00 N ATOM 0 H ARG A 855 4.680 4.980 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 855 4.369 2.065 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.440 2.143 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.805 3.715 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.929 4.610 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.770 3.074 -4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.004 4.965 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.884 3.443 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 855 6.792 4.535 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 855 9.669 6.262 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 855 9.499 7.579 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 855 6.572 6.248 -9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.742 7.571 -9.263 1.00 0.00 H new ATOM 319 N LEU A 856 4.722 1.848 -2.772 1.00 0.00 N ATOM 320 CA LEU A 856 5.108 1.496 -1.420 1.00 0.00 C ATOM 321 C LEU A 856 5.561 0.044 -1.373 1.00 0.00 C ATOM 322 O LEU A 856 4.948 -0.820 -1.997 1.00 0.00 O ATOM 323 CB LEU A 856 3.929 1.726 -0.479 1.00 0.00 C ATOM 324 CG LEU A 856 3.285 0.386 -0.134 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.357 -0.581 0.362 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.238 0.590 0.957 1.00 0.00 C ATOM 0 H LEU A 856 3.828 1.457 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 856 5.939 2.125 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.267 2.224 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.197 2.383 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 856 2.807 -0.027 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.898 -1.538 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.104 -0.727 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.836 -0.169 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.778 -0.367 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.715 1.003 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.472 1.280 0.602 1.00 0.00 H new ATOM 338 N TYR A 857 6.637 -0.225 -0.631 1.00 0.00 N ATOM 339 CA TYR A 857 7.164 -1.569 -0.509 1.00 0.00 C ATOM 340 C TYR A 857 6.351 -2.352 0.512 1.00 0.00 C ATOM 341 O TYR A 857 6.567 -2.219 1.714 1.00 0.00 O ATOM 342 CB TYR A 857 8.632 -1.503 -0.096 1.00 0.00 C ATOM 343 CG TYR A 857 8.996 -2.483 0.994 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.876 -3.859 0.767 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.453 -2.015 2.232 1.00 0.00 C ATOM 346 CE1 TYR A 857 9.214 -4.767 1.776 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.791 -2.924 3.242 1.00 0.00 C ATOM 348 CZ TYR A 857 9.672 -4.300 3.014 1.00 0.00 C ATOM 349 OH TYR A 857 10.001 -5.185 3.998 1.00 0.00 O ATOM 0 H TYR A 857 7.156 0.479 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 857 7.093 -2.080 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.256 -1.695 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.861 -0.493 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.522 -4.220 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.545 -0.953 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 857 9.122 -5.829 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.144 -2.563 4.197 1.00 0.00 H new ATOM 0 HH TYR A 857 10.301 -4.695 4.792 1.00 0.00 H new ATOM 359 N LEU A 858 5.413 -3.171 0.029 1.00 0.00 N ATOM 360 CA LEU A 858 4.574 -3.970 0.900 1.00 0.00 C ATOM 361 C LEU A 858 5.365 -5.155 1.434 1.00 0.00 C ATOM 362 O LEU A 858 5.719 -6.059 0.680 1.00 0.00 O ATOM 363 CB LEU A 858 3.346 -4.444 0.127 1.00 0.00 C ATOM 364 CG LEU A 858 2.382 -5.140 1.082 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.723 -4.757 2.519 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.952 -4.709 0.766 1.00 0.00 C ATOM 0 H LEU A 858 5.222 -3.292 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 858 4.245 -3.368 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.854 -3.596 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.645 -5.128 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 858 2.470 -6.220 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 858 2.034 -5.255 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.744 -5.065 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.635 -3.677 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.263 -5.206 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.863 -3.629 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.708 -4.983 -0.260 1.00 0.00 H new ATOM 378 N PRO A 859 5.641 -5.150 2.740 1.00 0.00 N ATOM 379 CA PRO A 859 6.379 -6.191 3.422 1.00 0.00 C ATOM 380 C PRO A 859 5.514 -7.438 3.539 1.00 0.00 C ATOM 381 O PRO A 859 4.296 -7.340 3.675 1.00 0.00 O ATOM 382 CB PRO A 859 6.691 -5.611 4.800 1.00 0.00 C ATOM 383 CG PRO A 859 5.512 -4.671 5.047 1.00 0.00 C ATOM 384 CD PRO A 859 5.240 -4.103 3.656 1.00 0.00 C ATOM 0 HA PRO A 859 7.287 -6.482 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.755 -6.389 5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.642 -5.078 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.647 -5.202 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.761 -3.888 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.187 -3.851 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.809 -3.189 3.484 1.00 0.00 H new ATOM 392 N PRO A 860 6.146 -8.612 3.482 1.00 0.00 N ATOM 393 CA PRO A 860 5.488 -9.898 3.575 1.00 0.00 C ATOM 394 C PRO A 860 5.028 -10.134 5.007 1.00 0.00 C ATOM 395 O PRO A 860 4.113 -10.919 5.245 1.00 0.00 O ATOM 396 CB PRO A 860 6.554 -10.913 3.168 1.00 0.00 C ATOM 397 CG PRO A 860 7.851 -10.237 3.610 1.00 0.00 C ATOM 398 CD PRO A 860 7.576 -8.763 3.322 1.00 0.00 C ATOM 0 HA PRO A 860 4.604 -9.969 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.409 -11.873 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.542 -11.103 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 860 8.059 -10.411 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.711 -10.605 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 860 8.121 -8.118 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.891 -8.492 2.314 1.00 0.00 H new ATOM 406 N SER A 861 5.667 -9.453 5.960 1.00 0.00 N ATOM 407 CA SER A 861 5.321 -9.592 7.360 1.00 0.00 C ATOM 408 C SER A 861 4.091 -8.752 7.675 1.00 0.00 C ATOM 409 O SER A 861 3.479 -8.913 8.729 1.00 0.00 O ATOM 410 CB SER A 861 6.505 -9.162 8.222 1.00 0.00 C ATOM 411 OG SER A 861 6.960 -10.262 8.977 1.00 0.00 O ATOM 0 H SER A 861 6.429 -8.799 5.778 1.00 0.00 H new ATOM 0 HA SER A 861 5.089 -10.634 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.309 -8.783 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.210 -8.349 8.885 1.00 0.00 H new ATOM 0 HG SER A 861 7.721 -9.987 9.529 1.00 0.00 H new ATOM 417 N THR A 862 3.729 -7.854 6.757 1.00 0.00 N ATOM 418 CA THR A 862 2.575 -6.998 6.943 1.00 0.00 C ATOM 419 C THR A 862 1.303 -7.833 6.935 1.00 0.00 C ATOM 420 O THR A 862 1.191 -8.791 6.174 1.00 0.00 O ATOM 421 CB THR A 862 2.538 -5.947 5.837 1.00 0.00 C ATOM 422 OG1 THR A 862 2.869 -4.686 6.376 1.00 0.00 O ATOM 423 CG2 THR A 862 1.137 -5.890 5.235 1.00 0.00 C ATOM 0 H THR A 862 4.225 -7.707 5.878 1.00 0.00 H new ATOM 0 HA THR A 862 2.646 -6.492 7.906 1.00 0.00 H new ATOM 0 HB THR A 862 3.256 -6.211 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.055 -4.242 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.111 -5.139 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.880 -6.864 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.418 -5.626 6.011 1.00 0.00 H new ATOM 431 N PRO A 863 0.342 -7.466 7.786 1.00 0.00 N ATOM 432 CA PRO A 863 -0.933 -8.139 7.916 1.00 0.00 C ATOM 433 C PRO A 863 -1.797 -7.836 6.700 1.00 0.00 C ATOM 434 O PRO A 863 -1.752 -6.731 6.165 1.00 0.00 O ATOM 435 CB PRO A 863 -1.553 -7.560 9.186 1.00 0.00 C ATOM 436 CG PRO A 863 -0.976 -6.146 9.230 1.00 0.00 C ATOM 437 CD PRO A 863 0.440 -6.345 8.695 1.00 0.00 C ATOM 0 HA PRO A 863 -0.837 -9.223 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.642 -7.551 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.278 -8.137 10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.549 -5.455 8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -0.973 -5.741 10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.798 -5.452 8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.142 -6.552 9.503 1.00 0.00 H new ATOM 445 N ASP A 864 -2.583 -8.823 6.264 1.00 0.00 N ATOM 446 CA ASP A 864 -3.449 -8.658 5.114 1.00 0.00 C ATOM 447 C ASP A 864 -2.609 -8.538 3.850 1.00 0.00 C ATOM 448 O ASP A 864 -3.115 -8.144 2.802 1.00 0.00 O ATOM 449 CB ASP A 864 -4.318 -7.418 5.306 1.00 0.00 C ATOM 450 CG ASP A 864 -5.772 -7.804 5.537 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.341 -8.445 4.627 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.288 -7.450 6.619 1.00 0.00 O ATOM 0 H ASP A 864 -2.631 -9.745 6.698 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.098 -9.528 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -3.952 -6.840 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.243 -6.777 4.428 1.00 0.00 H new ATOM 457 N PHE A 865 -1.323 -8.880 3.951 1.00 0.00 N ATOM 458 CA PHE A 865 -0.424 -8.808 2.817 1.00 0.00 C ATOM 459 C PHE A 865 -1.105 -9.379 1.581 1.00 0.00 C ATOM 460 O PHE A 865 -1.054 -8.780 0.509 1.00 0.00 O ATOM 461 CB PHE A 865 0.856 -9.577 3.134 1.00 0.00 C ATOM 462 CG PHE A 865 1.977 -9.311 2.158 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.497 -8.018 2.026 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.494 -10.356 1.383 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.535 -7.771 1.120 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.532 -10.109 0.477 1.00 0.00 C ATOM 467 CZ PHE A 865 4.052 -8.816 0.345 1.00 0.00 C ATOM 0 H PHE A 865 -0.888 -9.209 4.813 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.167 -7.768 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 865 1.189 -9.314 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.637 -10.645 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.097 -7.211 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 865 2.092 -11.353 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.937 -6.774 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.932 -10.916 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.852 -8.625 -0.355 1.00 0.00 H new ATOM 477 N SER A 866 -1.744 -10.541 1.732 1.00 0.00 N ATOM 478 CA SER A 866 -2.431 -11.184 0.630 1.00 0.00 C ATOM 479 C SER A 866 -2.863 -10.139 -0.389 1.00 0.00 C ATOM 480 O SER A 866 -2.131 -9.849 -1.332 1.00 0.00 O ATOM 481 CB SER A 866 -3.637 -11.952 1.163 1.00 0.00 C ATOM 482 OG SER A 866 -3.340 -13.330 1.197 1.00 0.00 O ATOM 0 H SER A 866 -1.795 -11.051 2.614 1.00 0.00 H new ATOM 0 HA SER A 866 -1.759 -11.886 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.893 -11.600 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.505 -11.772 0.529 1.00 0.00 H new ATOM 0 HG SER A 866 -4.114 -13.823 1.541 1.00 0.00 H new ATOM 488 N ARG A 867 -4.057 -9.574 -0.196 1.00 0.00 N ATOM 489 CA ARG A 867 -4.580 -8.566 -1.096 1.00 0.00 C ATOM 490 C ARG A 867 -3.684 -7.337 -1.071 1.00 0.00 C ATOM 491 O ARG A 867 -3.437 -6.724 -2.108 1.00 0.00 O ATOM 492 CB ARG A 867 -6.004 -8.206 -0.682 1.00 0.00 C ATOM 493 CG ARG A 867 -6.826 -9.481 -0.524 1.00 0.00 C ATOM 494 CD ARG A 867 -7.660 -9.395 0.751 1.00 0.00 C ATOM 495 NE ARG A 867 -8.328 -10.666 1.029 1.00 0.00 N ATOM 496 CZ ARG A 867 -7.702 -11.707 1.594 1.00 0.00 C ATOM 497 NH1 ARG A 867 -6.408 -11.609 1.930 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.368 -12.847 1.822 1.00 0.00 N ATOM 0 H ARG A 867 -4.676 -9.805 0.581 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.599 -8.956 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.992 -7.650 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.459 -7.558 -1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.476 -9.616 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.167 -10.348 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.020 -9.126 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.403 -8.604 0.651 1.00 0.00 H new ATOM 0 HE ARG A 867 -9.313 -10.764 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -5.900 -10.742 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.931 -12.402 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -9.352 -12.923 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -7.891 -13.639 2.252 1.00 0.00 H new ATOM 512 N LEU A 868 -3.195 -6.976 0.118 1.00 0.00 N ATOM 513 CA LEU A 868 -2.329 -5.824 0.271 1.00 0.00 C ATOM 514 C LEU A 868 -1.479 -5.646 -0.978 1.00 0.00 C ATOM 515 O LEU A 868 -1.450 -4.565 -1.563 1.00 0.00 O ATOM 516 CB LEU A 868 -1.447 -6.012 1.503 1.00 0.00 C ATOM 517 CG LEU A 868 -2.060 -5.267 2.685 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.947 -4.687 3.553 1.00 0.00 C ATOM 519 CD2 LEU A 868 -2.946 -4.136 2.170 1.00 0.00 C ATOM 0 H LEU A 868 -3.390 -7.473 0.987 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.933 -4.927 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.352 -7.072 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.442 -5.638 1.305 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.661 -5.957 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.384 -4.155 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.314 -5.495 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.346 -3.997 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.384 -3.604 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.346 -3.445 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.741 -4.550 1.550 1.00 0.00 H new ATOM 531 N ARG A 869 -0.786 -6.711 -1.387 1.00 0.00 N ATOM 532 CA ARG A 869 0.060 -6.668 -2.563 1.00 0.00 C ATOM 533 C ARG A 869 -0.783 -6.374 -3.795 1.00 0.00 C ATOM 534 O ARG A 869 -0.959 -5.216 -4.167 1.00 0.00 O ATOM 535 CB ARG A 869 0.789 -8.001 -2.712 1.00 0.00 C ATOM 536 CG ARG A 869 1.803 -7.901 -3.848 1.00 0.00 C ATOM 537 CD ARG A 869 3.210 -8.110 -3.294 1.00 0.00 C ATOM 538 NE ARG A 869 3.751 -9.403 -3.712 1.00 0.00 N ATOM 539 CZ ARG A 869 3.542 -10.534 -3.024 1.00 0.00 C ATOM 540 NH1 ARG A 869 2.808 -10.511 -1.903 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.066 -11.689 -3.457 1.00 0.00 N ATOM 0 H ARG A 869 -0.800 -7.614 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 869 0.799 -5.874 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 869 1.294 -8.258 -1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.074 -8.798 -2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.586 -8.649 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.731 -6.926 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.864 -7.309 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.188 -8.056 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 869 4.311 -9.446 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 869 2.408 -9.633 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 869 2.649 -11.372 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 869 4.624 -11.708 -4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 869 3.907 -12.549 -2.933 1.00 0.00 H new ATOM 555 N ARG A 870 -1.306 -7.426 -4.428 1.00 0.00 N ATOM 556 CA ARG A 870 -2.126 -7.277 -5.613 1.00 0.00 C ATOM 557 C ARG A 870 -2.983 -6.024 -5.492 1.00 0.00 C ATOM 558 O ARG A 870 -2.947 -5.159 -6.364 1.00 0.00 O ATOM 559 CB ARG A 870 -3.001 -8.515 -5.785 1.00 0.00 C ATOM 560 CG ARG A 870 -2.326 -9.483 -6.753 1.00 0.00 C ATOM 561 CD ARG A 870 -1.776 -10.677 -5.977 1.00 0.00 C ATOM 562 NE ARG A 870 -0.744 -11.373 -6.746 1.00 0.00 N ATOM 563 CZ ARG A 870 0.056 -12.305 -6.211 1.00 0.00 C ATOM 564 NH1 ARG A 870 -0.073 -12.636 -4.919 1.00 0.00 N ATOM 565 NH2 ARG A 870 0.984 -12.906 -6.967 1.00 0.00 N ATOM 0 H ARG A 870 -1.170 -8.392 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 870 -1.488 -7.175 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.159 -8.999 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -3.983 -8.230 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -3.041 -9.821 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -1.519 -8.979 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -1.361 -10.338 -5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -2.587 -11.367 -5.742 1.00 0.00 H new ATOM 0 HE ARG A 870 -0.629 -11.139 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -0.780 -12.178 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 870 0.536 -13.346 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 870 1.082 -12.654 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 870 1.593 -13.615 -6.559 1.00 0.00 H new ATOM 579 N TYR A 871 -3.755 -5.929 -4.407 1.00 0.00 N ATOM 580 CA TYR A 871 -4.615 -4.786 -4.181 1.00 0.00 C ATOM 581 C TYR A 871 -3.874 -3.504 -4.533 1.00 0.00 C ATOM 582 O TYR A 871 -4.271 -2.785 -5.446 1.00 0.00 O ATOM 583 CB TYR A 871 -5.064 -4.769 -2.723 1.00 0.00 C ATOM 584 CG TYR A 871 -6.170 -3.780 -2.443 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.299 -3.741 -3.270 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.067 -2.902 -1.358 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.325 -2.823 -3.012 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.092 -1.984 -1.099 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.221 -1.945 -1.926 1.00 0.00 C ATOM 590 OH TYR A 871 -9.220 -1.051 -1.674 1.00 0.00 O ATOM 0 H TYR A 871 -3.796 -6.637 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.497 -4.858 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.401 -5.767 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.208 -4.533 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.379 -4.419 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.196 -2.933 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.196 -2.792 -3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.012 -1.306 -0.262 1.00 0.00 H new ATOM 600 N PHE A 872 -2.792 -3.219 -3.804 1.00 0.00 N ATOM 601 CA PHE A 872 -2.003 -2.027 -4.044 1.00 0.00 C ATOM 602 C PHE A 872 -1.654 -1.927 -5.522 1.00 0.00 C ATOM 603 O PHE A 872 -2.417 -1.365 -6.305 1.00 0.00 O ATOM 604 CB PHE A 872 -0.738 -2.076 -3.191 1.00 0.00 C ATOM 605 CG PHE A 872 -0.052 -0.739 -3.053 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.603 -0.171 -4.153 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.068 -0.067 -1.825 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.241 1.068 -4.025 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.571 1.173 -1.697 1.00 0.00 C ATOM 610 CZ PHE A 872 1.225 1.740 -2.797 1.00 0.00 C ATOM 0 H PHE A 872 -2.449 -3.805 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.578 -1.143 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -0.993 -2.449 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.041 -2.789 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.616 -0.689 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.573 -0.505 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.746 1.506 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.559 1.691 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.717 2.696 -2.698 1.00 0.00 H new ATOM 620 N VAL A 873 -0.498 -2.475 -5.903 1.00 0.00 N ATOM 621 CA VAL A 873 -0.054 -2.446 -7.282 1.00 0.00 C ATOM 622 C VAL A 873 -1.260 -2.482 -8.211 1.00 0.00 C ATOM 623 O VAL A 873 -1.237 -1.884 -9.284 1.00 0.00 O ATOM 624 CB VAL A 873 0.868 -3.633 -7.544 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.490 -4.785 -6.618 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.721 -4.079 -8.997 1.00 0.00 C ATOM 0 H VAL A 873 0.145 -2.945 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 873 0.499 -1.526 -7.472 1.00 0.00 H new ATOM 0 HB VAL A 873 1.901 -3.340 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.149 -5.633 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.594 -4.467 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.543 -5.079 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.379 -4.927 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.312 -4.372 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.991 -3.256 -9.659 1.00 0.00 H new ATOM 636 N ALA A 874 -2.315 -3.187 -7.795 1.00 0.00 N ATOM 637 CA ALA A 874 -3.521 -3.298 -8.590 1.00 0.00 C ATOM 638 C ALA A 874 -4.112 -1.916 -8.825 1.00 0.00 C ATOM 639 O ALA A 874 -4.379 -1.539 -9.964 1.00 0.00 O ATOM 640 CB ALA A 874 -4.521 -4.199 -7.871 1.00 0.00 C ATOM 0 H ALA A 874 -2.349 -3.688 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.285 -3.739 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.429 -4.284 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.085 -5.188 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -4.764 -3.770 -6.899 1.00 0.00 H new ATOM 646 N PHE A 875 -4.318 -1.160 -7.745 1.00 0.00 N ATOM 647 CA PHE A 875 -4.876 0.174 -7.841 1.00 0.00 C ATOM 648 C PHE A 875 -4.264 0.905 -9.029 1.00 0.00 C ATOM 649 O PHE A 875 -4.981 1.499 -9.830 1.00 0.00 O ATOM 650 CB PHE A 875 -4.608 0.931 -6.544 1.00 0.00 C ATOM 651 CG PHE A 875 -5.141 0.231 -5.317 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.763 -1.018 -5.437 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.010 0.829 -4.057 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.255 -1.668 -4.299 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.502 0.179 -2.919 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.124 -1.069 -3.040 1.00 0.00 C ATOM 0 H PHE A 875 -4.103 -1.458 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 875 -5.953 0.112 -7.994 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.533 1.075 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.057 1.922 -6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -5.863 -1.480 -6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.529 1.792 -3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.735 -2.631 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.402 0.640 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.503 -1.570 -2.162 1.00 0.00 H new ATOM 666 N ASP A 876 -2.935 0.859 -9.140 1.00 0.00 N ATOM 667 CA ASP A 876 -2.236 1.515 -10.226 1.00 0.00 C ATOM 668 C ASP A 876 -0.865 1.977 -9.752 1.00 0.00 C ATOM 669 O ASP A 876 -0.196 2.746 -10.438 1.00 0.00 O ATOM 670 CB ASP A 876 -3.063 2.698 -10.721 1.00 0.00 C ATOM 671 CG ASP A 876 -3.871 2.318 -11.954 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.360 1.484 -12.732 1.00 0.00 O ATOM 673 OD2 ASP A 876 -4.984 2.870 -12.096 1.00 0.00 O ATOM 0 H ASP A 876 -2.327 0.370 -8.484 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.097 0.815 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.734 3.034 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.404 3.534 -10.956 1.00 0.00 H new ATOM 678 N GLY A 877 -0.448 1.506 -8.574 1.00 0.00 N ATOM 679 CA GLY A 877 0.839 1.875 -8.020 1.00 0.00 C ATOM 680 C GLY A 877 1.885 0.825 -8.368 1.00 0.00 C ATOM 681 O GLY A 877 1.871 0.271 -9.465 1.00 0.00 O ATOM 0 H GLY A 877 -0.990 0.868 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.145 2.846 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.761 1.976 -6.937 1.00 0.00 H new ATOM 685 N ASP A 878 2.794 0.552 -7.429 1.00 0.00 N ATOM 686 CA ASP A 878 3.841 -0.428 -7.641 1.00 0.00 C ATOM 687 C ASP A 878 4.375 -0.908 -6.299 1.00 0.00 C ATOM 688 O ASP A 878 4.258 -0.208 -5.296 1.00 0.00 O ATOM 689 CB ASP A 878 4.956 0.194 -8.477 1.00 0.00 C ATOM 690 CG ASP A 878 4.895 -0.298 -9.916 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.861 -0.029 -10.564 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.884 -0.933 -10.341 1.00 0.00 O ATOM 0 H ASP A 878 2.819 1.002 -6.514 1.00 0.00 H new ATOM 0 HA ASP A 878 3.439 -1.287 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.869 1.280 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.924 -0.057 -8.043 1.00 0.00 H new ATOM 697 N LEU A 879 4.964 -2.106 -6.283 1.00 0.00 N ATOM 698 CA LEU A 879 5.512 -2.673 -5.067 1.00 0.00 C ATOM 699 C LEU A 879 6.907 -3.220 -5.336 1.00 0.00 C ATOM 700 O LEU A 879 7.091 -4.048 -6.226 1.00 0.00 O ATOM 701 CB LEU A 879 4.588 -3.775 -4.558 1.00 0.00 C ATOM 702 CG LEU A 879 3.141 -3.293 -4.618 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.250 -4.261 -3.846 1.00 0.00 C ATOM 704 CD2 LEU A 879 3.042 -1.903 -3.997 1.00 0.00 C ATOM 0 H LEU A 879 5.070 -2.698 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 879 5.588 -1.899 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.709 -4.674 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.852 -4.042 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 879 2.815 -3.250 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.217 -3.917 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.321 -5.254 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.575 -4.305 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 879 2.009 -1.558 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.368 -1.945 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.678 -1.212 -4.549 1.00 0.00 H new ATOM 716 N VAL A 880 7.891 -2.756 -4.562 1.00 0.00 N ATOM 717 CA VAL A 880 9.261 -3.200 -4.719 1.00 0.00 C ATOM 718 C VAL A 880 9.652 -4.088 -3.546 1.00 0.00 C ATOM 719 O VAL A 880 9.280 -3.814 -2.407 1.00 0.00 O ATOM 720 CB VAL A 880 10.181 -1.986 -4.809 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.781 -1.904 -6.209 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.380 -0.719 -4.523 1.00 0.00 C ATOM 0 H VAL A 880 7.754 -2.070 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 880 9.357 -3.781 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 880 10.982 -2.082 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.438 -1.037 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.353 -2.809 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 880 9.981 -1.808 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 880 10.037 0.149 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.578 -0.622 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.952 -0.777 -3.522 1.00 0.00 H new ATOM 732 N GLN A 881 10.406 -5.153 -3.826 1.00 0.00 N ATOM 733 CA GLN A 881 10.842 -6.074 -2.795 1.00 0.00 C ATOM 734 C GLN A 881 11.889 -5.406 -1.915 1.00 0.00 C ATOM 735 O GLN A 881 12.826 -4.791 -2.420 1.00 0.00 O ATOM 736 CB GLN A 881 11.406 -7.334 -3.446 1.00 0.00 C ATOM 737 CG GLN A 881 10.411 -7.867 -4.472 1.00 0.00 C ATOM 738 CD GLN A 881 11.113 -8.724 -5.515 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.669 -8.202 -6.479 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.087 -10.045 -5.320 1.00 0.00 N ATOM 0 H GLN A 881 10.724 -5.393 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 881 9.995 -6.352 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.358 -7.112 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.602 -8.091 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.644 -8.455 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.905 -7.034 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 881 10.612 -10.431 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.542 -10.668 -5.987 1.00 0.00 H new ATOM 749 N GLU A 882 11.729 -5.528 -0.595 1.00 0.00 N ATOM 750 CA GLU A 882 12.661 -4.937 0.343 1.00 0.00 C ATOM 751 C GLU A 882 14.039 -4.825 -0.294 1.00 0.00 C ATOM 752 O GLU A 882 14.545 -3.723 -0.494 1.00 0.00 O ATOM 753 CB GLU A 882 12.718 -5.791 1.607 1.00 0.00 C ATOM 754 CG GLU A 882 13.699 -5.170 2.597 1.00 0.00 C ATOM 755 CD GLU A 882 14.707 -6.201 3.083 1.00 0.00 C ATOM 756 OE1 GLU A 882 15.124 -7.027 2.242 1.00 0.00 O ATOM 757 OE2 GLU A 882 15.042 -6.145 4.286 1.00 0.00 O ATOM 0 H GLU A 882 10.958 -6.034 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 882 12.326 -3.935 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.727 -5.861 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 882 13.029 -6.806 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 882 14.222 -4.339 2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 882 13.153 -4.760 3.447 1.00 0.00 H new ATOM 764 N PHE A 883 14.645 -5.970 -0.614 1.00 0.00 N ATOM 765 CA PHE A 883 15.958 -5.993 -1.227 1.00 0.00 C ATOM 766 C PHE A 883 15.871 -5.471 -2.654 1.00 0.00 C ATOM 767 O PHE A 883 16.775 -5.695 -3.456 1.00 0.00 O ATOM 768 CB PHE A 883 16.504 -7.418 -1.205 1.00 0.00 C ATOM 769 CG PHE A 883 15.842 -8.333 -2.206 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.668 -9.014 -1.864 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.401 -8.499 -3.479 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.053 -9.861 -2.794 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.786 -9.346 -4.409 1.00 0.00 C ATOM 774 CZ PHE A 883 14.612 -10.027 -4.066 1.00 0.00 C ATOM 0 H PHE A 883 14.239 -6.892 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 883 16.636 -5.349 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.576 -7.391 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.375 -7.832 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.236 -8.886 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.307 -7.974 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.147 -10.386 -2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.217 -9.474 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.138 -10.681 -4.783 1.00 0.00 H new ATOM 784 N ASP A 884 14.779 -4.772 -2.970 1.00 0.00 N ATOM 785 CA ASP A 884 14.579 -4.223 -4.297 1.00 0.00 C ATOM 786 C ASP A 884 13.699 -2.985 -4.215 1.00 0.00 C ATOM 787 O ASP A 884 12.475 -3.093 -4.176 1.00 0.00 O ATOM 788 CB ASP A 884 13.943 -5.281 -5.194 1.00 0.00 C ATOM 789 CG ASP A 884 14.894 -6.449 -5.415 1.00 0.00 C ATOM 790 OD1 ASP A 884 16.112 -6.182 -5.496 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.384 -7.588 -5.499 1.00 0.00 O ATOM 0 H ASP A 884 14.021 -4.576 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 884 15.539 -3.934 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 884 13.019 -5.640 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.676 -4.838 -6.153 1.00 0.00 H new ATOM 796 N MET A 885 14.323 -1.805 -4.189 1.00 0.00 N ATOM 797 CA MET A 885 13.591 -0.557 -4.110 1.00 0.00 C ATOM 798 C MET A 885 14.439 0.577 -4.671 1.00 0.00 C ATOM 799 O MET A 885 14.054 1.219 -5.645 1.00 0.00 O ATOM 800 CB MET A 885 13.214 -0.281 -2.657 1.00 0.00 C ATOM 801 CG MET A 885 13.880 -1.314 -1.753 1.00 0.00 C ATOM 802 SD MET A 885 12.735 -2.534 -1.063 1.00 0.00 S ATOM 803 CE MET A 885 12.387 -1.738 0.525 1.00 0.00 C ATOM 0 H MET A 885 15.337 -1.697 -4.222 1.00 0.00 H new ATOM 0 HA MET A 885 12.679 -0.629 -4.702 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.529 0.723 -2.373 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.131 -0.321 -2.537 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.651 -1.835 -2.320 1.00 0.00 H new ATOM 0 HG3 MET A 885 14.381 -0.797 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.135 -2.497 1.265 1.00 0.00 H new ATOM 0 HE2 MET A 885 13.267 -1.187 0.856 1.00 0.00 H new ATOM 0 HE3 MET A 885 11.549 -1.050 0.411 1.00 0.00 H new ATOM 813 N THR A 886 15.596 0.821 -4.052 1.00 0.00 N ATOM 814 CA THR A 886 16.488 1.874 -4.495 1.00 0.00 C ATOM 815 C THR A 886 15.707 2.922 -5.274 1.00 0.00 C ATOM 816 O THR A 886 15.802 4.113 -4.985 1.00 0.00 O ATOM 817 CB THR A 886 17.594 1.272 -5.358 1.00 0.00 C ATOM 818 OG1 THR A 886 17.104 1.051 -6.662 1.00 0.00 O ATOM 819 CG2 THR A 886 18.047 -0.054 -4.754 1.00 0.00 C ATOM 0 H THR A 886 15.930 0.298 -3.242 1.00 0.00 H new ATOM 0 HA THR A 886 16.941 2.358 -3.630 1.00 0.00 H new ATOM 0 HB THR A 886 18.439 1.960 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.814 0.666 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.837 -0.484 -5.370 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.425 0.116 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.203 -0.743 -4.714 1.00 0.00 H new ATOM 827 N SER A 887 14.932 2.476 -6.265 1.00 0.00 N ATOM 828 CA SER A 887 14.139 3.376 -7.078 1.00 0.00 C ATOM 829 C SER A 887 12.710 3.420 -6.556 1.00 0.00 C ATOM 830 O SER A 887 11.927 4.280 -6.953 1.00 0.00 O ATOM 831 CB SER A 887 14.170 2.909 -8.530 1.00 0.00 C ATOM 832 OG SER A 887 15.027 3.745 -9.274 1.00 0.00 O ATOM 0 H SER A 887 14.842 1.492 -6.518 1.00 0.00 H new ATOM 0 HA SER A 887 14.555 4.382 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.515 1.876 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.165 2.932 -8.952 1.00 0.00 H new ATOM 0 HG SER A 887 15.049 3.444 -10.207 1.00 0.00 H new ATOM 838 N ALA A 888 12.371 2.489 -5.661 1.00 0.00 N ATOM 839 CA ALA A 888 11.041 2.425 -5.090 1.00 0.00 C ATOM 840 C ALA A 888 10.544 3.831 -4.783 1.00 0.00 C ATOM 841 O ALA A 888 11.299 4.795 -4.888 1.00 0.00 O ATOM 842 CB ALA A 888 11.072 1.574 -3.823 1.00 0.00 C ATOM 0 H ALA A 888 13.009 1.770 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 888 10.356 1.966 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.072 1.525 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.411 0.568 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.756 2.021 -3.101 1.00 0.00 H new ATOM 848 N THR A 889 9.269 3.947 -4.404 1.00 0.00 N ATOM 849 CA THR A 889 8.684 5.233 -4.085 1.00 0.00 C ATOM 850 C THR A 889 8.092 5.201 -2.683 1.00 0.00 C ATOM 851 O THR A 889 8.233 6.158 -1.925 1.00 0.00 O ATOM 852 CB THR A 889 7.612 5.573 -5.117 1.00 0.00 C ATOM 853 OG1 THR A 889 7.642 6.956 -5.388 1.00 0.00 O ATOM 854 CG2 THR A 889 6.240 5.192 -4.569 1.00 0.00 C ATOM 0 H THR A 889 8.628 3.159 -4.313 1.00 0.00 H new ATOM 0 HA THR A 889 9.455 6.003 -4.113 1.00 0.00 H new ATOM 0 HB THR A 889 7.803 5.019 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 889 6.788 7.230 -5.783 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.474 5.435 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.216 4.123 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.048 5.746 -3.650 1.00 0.00 H new ATOM 862 N HIS A 890 7.428 4.095 -2.339 1.00 0.00 N ATOM 863 CA HIS A 890 6.819 3.949 -1.032 1.00 0.00 C ATOM 864 C HIS A 890 7.322 2.677 -0.364 1.00 0.00 C ATOM 865 O HIS A 890 7.810 1.771 -1.036 1.00 0.00 O ATOM 866 CB HIS A 890 5.301 3.916 -1.181 1.00 0.00 C ATOM 867 CG HIS A 890 4.706 5.286 -1.362 1.00 0.00 C ATOM 868 ND1 HIS A 890 5.225 6.300 -2.135 1.00 0.00 N ATOM 869 CD2 HIS A 890 3.553 5.748 -0.787 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.394 7.352 -2.025 1.00 0.00 C ATOM 871 NE2 HIS A 890 3.361 7.065 -1.214 1.00 0.00 N ATOM 0 HA HIS A 890 7.093 4.797 -0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.037 3.294 -2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.863 3.448 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 890 2.907 5.194 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.537 8.300 -2.522 1.00 0.00 H new ATOM 0 HE2 HIS A 890 2.591 7.684 -0.961 1.00 0.00 H new ATOM 879 N VAL A 891 7.202 2.611 0.964 1.00 0.00 N ATOM 880 CA VAL A 891 7.644 1.454 1.716 1.00 0.00 C ATOM 881 C VAL A 891 6.793 1.298 2.969 1.00 0.00 C ATOM 882 O VAL A 891 6.669 2.233 3.757 1.00 0.00 O ATOM 883 CB VAL A 891 9.117 1.615 2.079 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.980 1.277 0.866 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.380 3.057 2.504 1.00 0.00 C ATOM 0 H VAL A 891 6.799 3.354 1.535 1.00 0.00 H new ATOM 0 HA VAL A 891 7.530 0.556 1.109 1.00 0.00 H new ATOM 0 HB VAL A 891 9.365 0.942 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.033 1.392 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.792 0.248 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.733 1.950 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.432 3.174 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.132 3.729 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.764 3.299 3.370 1.00 0.00 H new ATOM 895 N LEU A 892 6.208 0.113 3.152 1.00 0.00 N ATOM 896 CA LEU A 892 5.374 -0.159 4.306 1.00 0.00 C ATOM 897 C LEU A 892 6.248 -0.436 5.521 1.00 0.00 C ATOM 898 O LEU A 892 7.080 -1.340 5.496 1.00 0.00 O ATOM 899 CB LEU A 892 4.468 -1.350 4.009 1.00 0.00 C ATOM 900 CG LEU A 892 3.021 -0.979 4.324 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.162 -1.183 3.079 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.502 -1.867 5.451 1.00 0.00 C ATOM 0 H LEU A 892 6.302 -0.672 2.508 1.00 0.00 H new ATOM 0 HA LEU A 892 4.751 0.709 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.561 -1.639 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.772 -2.210 4.606 1.00 0.00 H new ATOM 0 HG LEU A 892 2.972 0.065 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.129 -0.918 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.533 -0.549 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.211 -2.227 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.469 -1.602 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.550 -2.911 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.116 -1.722 6.340 1.00 0.00 H new ATOM 914 N GLY A 893 6.058 0.345 6.587 1.00 0.00 N ATOM 915 CA GLY A 893 6.830 0.176 7.801 1.00 0.00 C ATOM 916 C GLY A 893 8.315 0.097 7.475 1.00 0.00 C ATOM 917 O GLY A 893 8.783 -0.902 6.935 1.00 0.00 O ATOM 0 H GLY A 893 5.373 1.100 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.643 1.009 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.515 -0.731 8.317 1.00 0.00 H new ATOM 921 N SER A 894 9.056 1.157 7.806 1.00 0.00 N ATOM 922 CA SER A 894 10.482 1.202 7.548 1.00 0.00 C ATOM 923 C SER A 894 10.737 1.753 6.152 1.00 0.00 C ATOM 924 O SER A 894 9.815 1.859 5.346 1.00 0.00 O ATOM 925 CB SER A 894 11.068 -0.199 7.692 1.00 0.00 C ATOM 926 OG SER A 894 10.678 -0.746 8.932 1.00 0.00 O ATOM 0 H SER A 894 8.683 1.994 8.254 1.00 0.00 H new ATOM 0 HA SER A 894 10.966 1.860 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.722 -0.835 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.155 -0.159 7.626 1.00 0.00 H new ATOM 0 HG SER A 894 11.053 -1.647 9.025 1.00 0.00 H new ATOM 932 N ARG A 895 11.993 2.104 5.869 1.00 0.00 N ATOM 933 CA ARG A 895 12.364 2.641 4.575 1.00 0.00 C ATOM 934 C ARG A 895 13.734 2.116 4.172 1.00 0.00 C ATOM 935 O ARG A 895 14.009 1.937 2.987 1.00 0.00 O ATOM 936 CB ARG A 895 12.367 4.166 4.640 1.00 0.00 C ATOM 937 CG ARG A 895 13.208 4.622 5.828 1.00 0.00 C ATOM 938 CD ARG A 895 13.484 6.119 5.712 1.00 0.00 C ATOM 939 NE ARG A 895 14.922 6.389 5.708 1.00 0.00 N ATOM 940 CZ ARG A 895 15.427 7.630 5.732 1.00 0.00 C ATOM 941 NH1 ARG A 895 14.605 8.688 5.762 1.00 0.00 N ATOM 942 NH2 ARG A 895 16.754 7.814 5.727 1.00 0.00 N ATOM 0 H ARG A 895 12.768 2.022 6.527 1.00 0.00 H new ATOM 0 HA ARG A 895 11.640 2.324 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.770 4.579 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.347 4.539 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.685 4.409 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.147 4.069 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 895 13.035 6.505 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.014 6.644 6.543 1.00 0.00 H new ATOM 0 HE ARG A 895 15.567 5.599 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.595 8.549 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 895 14.990 9.632 5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 895 17.380 7.009 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 895 17.138 8.759 5.745 1.00 0.00 H new ATOM 956 N ASP A 896 14.596 1.870 5.161 1.00 0.00 N ATOM 957 CA ASP A 896 15.931 1.369 4.905 1.00 0.00 C ATOM 958 C ASP A 896 16.035 0.894 3.463 1.00 0.00 C ATOM 959 O ASP A 896 16.562 1.604 2.610 1.00 0.00 O ATOM 960 CB ASP A 896 16.241 0.230 5.873 1.00 0.00 C ATOM 961 CG ASP A 896 17.467 -0.550 5.421 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.336 0.080 4.780 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.512 -1.762 5.725 1.00 0.00 O ATOM 0 H ASP A 896 14.384 2.013 6.148 1.00 0.00 H new ATOM 0 HA ASP A 896 16.658 2.166 5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.409 0.632 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.383 -0.440 5.939 1.00 0.00 H new ATOM 968 N LYS A 897 15.531 -0.313 3.192 1.00 0.00 N ATOM 969 CA LYS A 897 15.570 -0.873 1.856 1.00 0.00 C ATOM 970 C LYS A 897 15.494 0.242 0.823 1.00 0.00 C ATOM 971 O LYS A 897 16.126 0.163 -0.227 1.00 0.00 O ATOM 972 CB LYS A 897 14.412 -1.851 1.681 1.00 0.00 C ATOM 973 CG LYS A 897 13.511 -1.797 2.911 1.00 0.00 C ATOM 974 CD LYS A 897 12.636 -0.548 2.847 1.00 0.00 C ATOM 975 CE LYS A 897 12.126 -0.211 4.246 1.00 0.00 C ATOM 976 NZ LYS A 897 10.748 0.301 4.196 1.00 0.00 N ATOM 0 H LYS A 897 15.092 -0.916 3.888 1.00 0.00 H new ATOM 0 HA LYS A 897 16.508 -1.409 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 897 13.841 -1.599 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.794 -2.862 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 897 12.887 -2.689 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.116 -1.784 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.207 0.289 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.796 -0.714 2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.165 -1.100 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.778 0.533 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.291 0.158 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.763 1.316 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.215 -0.208 3.463 1.00 0.00 H new ATOM 990 N ASN A 898 14.716 1.285 1.125 1.00 0.00 N ATOM 991 CA ASN A 898 14.563 2.409 0.223 1.00 0.00 C ATOM 992 C ASN A 898 14.171 3.653 1.007 1.00 0.00 C ATOM 993 O ASN A 898 12.995 3.861 1.299 1.00 0.00 O ATOM 994 CB ASN A 898 13.507 2.076 -0.827 1.00 0.00 C ATOM 995 CG ASN A 898 13.312 3.239 -1.789 1.00 0.00 C ATOM 996 OD1 ASN A 898 13.173 4.383 -1.363 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.304 2.943 -3.091 1.00 0.00 N ATOM 0 H ASN A 898 14.185 1.366 1.992 1.00 0.00 H new ATOM 0 HA ASN A 898 15.509 2.607 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.807 1.187 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.562 1.842 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.178 3.683 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 898 13.423 1.977 -3.395 1.00 0.00 H new ATOM 1004 N PRO A 899 15.160 4.482 1.346 1.00 0.00 N ATOM 1005 CA PRO A 899 14.977 5.712 2.088 1.00 0.00 C ATOM 1006 C PRO A 899 14.315 6.752 1.195 1.00 0.00 C ATOM 1007 O PRO A 899 13.845 7.779 1.679 1.00 0.00 O ATOM 1008 CB PRO A 899 16.387 6.145 2.482 1.00 0.00 C ATOM 1009 CG PRO A 899 17.242 5.593 1.343 1.00 0.00 C ATOM 1010 CD PRO A 899 16.553 4.269 1.019 1.00 0.00 C ATOM 0 HA PRO A 899 14.338 5.590 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.470 7.229 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.682 5.732 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.255 6.264 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.278 5.447 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.676 4.007 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 899 16.975 3.451 1.603 1.00 0.00 H new ATOM 1018 N ALA A 900 14.281 6.484 -0.112 1.00 0.00 N ATOM 1019 CA ALA A 900 13.682 7.398 -1.064 1.00 0.00 C ATOM 1020 C ALA A 900 12.201 7.082 -1.219 1.00 0.00 C ATOM 1021 O ALA A 900 11.507 7.723 -2.005 1.00 0.00 O ATOM 1022 CB ALA A 900 14.403 7.280 -2.404 1.00 0.00 C ATOM 0 H ALA A 900 14.665 5.636 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 900 13.780 8.422 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 900 13.953 7.967 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.456 7.529 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.315 6.259 -2.776 1.00 0.00 H new ATOM 1028 N ALA A 901 11.718 6.091 -0.466 1.00 0.00 N ATOM 1029 CA ALA A 901 10.326 5.695 -0.524 1.00 0.00 C ATOM 1030 C ALA A 901 9.545 6.391 0.581 1.00 0.00 C ATOM 1031 O ALA A 901 9.957 7.442 1.067 1.00 0.00 O ATOM 1032 CB ALA A 901 10.223 4.178 -0.387 1.00 0.00 C ATOM 0 H ALA A 901 12.281 5.551 0.191 1.00 0.00 H new ATOM 0 HA ALA A 901 9.900 5.990 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.176 3.879 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.771 3.701 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.649 3.869 0.568 1.00 0.00 H new ATOM 1038 N GLN A 902 8.415 5.801 0.979 1.00 0.00 N ATOM 1039 CA GLN A 902 7.585 6.368 2.023 1.00 0.00 C ATOM 1040 C GLN A 902 7.344 5.331 3.111 1.00 0.00 C ATOM 1041 O GLN A 902 6.966 4.199 2.820 1.00 0.00 O ATOM 1042 CB GLN A 902 6.263 6.836 1.420 1.00 0.00 C ATOM 1043 CG GLN A 902 6.422 8.256 0.884 1.00 0.00 C ATOM 1044 CD GLN A 902 6.889 9.201 1.982 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.701 10.090 1.734 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.373 9.007 3.198 1.00 0.00 N ATOM 0 H GLN A 902 8.061 4.928 0.587 1.00 0.00 H new ATOM 0 HA GLN A 902 8.090 7.224 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 902 5.960 6.165 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.477 6.807 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.140 8.261 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.472 8.604 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 902 5.702 8.255 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.650 9.611 3.972 1.00 0.00 H new ATOM 1055 N GLN A 903 7.564 5.722 4.369 1.00 0.00 N ATOM 1056 CA GLN A 903 7.371 4.827 5.492 1.00 0.00 C ATOM 1057 C GLN A 903 5.913 4.853 5.929 1.00 0.00 C ATOM 1058 O GLN A 903 5.603 5.290 7.035 1.00 0.00 O ATOM 1059 CB GLN A 903 8.287 5.246 6.638 1.00 0.00 C ATOM 1060 CG GLN A 903 9.717 4.806 6.335 1.00 0.00 C ATOM 1061 CD GLN A 903 10.663 5.997 6.333 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.303 6.286 7.342 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.749 6.691 5.196 1.00 0.00 N ATOM 0 H GLN A 903 7.877 6.658 4.627 1.00 0.00 H new ATOM 0 HA GLN A 903 7.622 3.808 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.249 6.327 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 903 7.947 4.797 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.043 4.079 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.751 4.308 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.197 6.412 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.367 7.501 5.138 1.00 0.00 H new ATOM 1072 N VAL A 904 5.018 4.384 5.057 1.00 0.00 N ATOM 1073 CA VAL A 904 3.601 4.355 5.356 1.00 0.00 C ATOM 1074 C VAL A 904 3.268 3.103 6.154 1.00 0.00 C ATOM 1075 O VAL A 904 4.134 2.261 6.381 1.00 0.00 O ATOM 1076 CB VAL A 904 2.806 4.394 4.054 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.725 4.808 2.908 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.231 3.009 3.769 1.00 0.00 C ATOM 0 H VAL A 904 5.260 4.019 4.136 1.00 0.00 H new ATOM 0 HA VAL A 904 3.334 5.225 5.955 1.00 0.00 H new ATOM 0 HB VAL A 904 1.993 5.114 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.157 4.836 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.137 5.796 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.538 4.088 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.663 3.035 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.044 2.289 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.575 2.712 4.587 1.00 0.00 H new ATOM 1088 N SER A 905 2.009 2.982 6.582 1.00 0.00 N ATOM 1089 CA SER A 905 1.570 1.835 7.350 1.00 0.00 C ATOM 1090 C SER A 905 0.309 1.250 6.731 1.00 0.00 C ATOM 1091 O SER A 905 -0.094 1.651 5.641 1.00 0.00 O ATOM 1092 CB SER A 905 1.318 2.257 8.794 1.00 0.00 C ATOM 1093 OG SER A 905 -0.053 2.536 8.969 1.00 0.00 O ATOM 0 H SER A 905 1.280 3.672 6.404 1.00 0.00 H new ATOM 0 HA SER A 905 2.344 1.068 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.629 1.465 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 905 1.913 3.137 9.036 1.00 0.00 H new ATOM 0 HG SER A 905 -0.216 2.806 9.897 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.315 0.299 7.430 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.525 -0.368 7.000 1.00 0.00 C ATOM 1101 C PRO A 906 -2.703 0.589 7.116 1.00 0.00 C ATOM 1102 O PRO A 906 -3.663 0.491 6.355 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.683 -1.548 7.957 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.033 -1.032 9.240 1.00 0.00 C ATOM 1105 CD PRO A 906 0.132 -0.197 8.713 1.00 0.00 C ATOM 0 HA PRO A 906 -1.482 -0.697 5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.731 -1.807 8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.185 -2.442 7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.725 -0.433 9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.691 -1.848 9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.370 0.622 9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.035 -0.799 8.611 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.630 1.517 8.074 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.690 2.483 8.282 1.00 0.00 C ATOM 1115 C GLU A 907 -3.722 3.476 7.128 1.00 0.00 C ATOM 1116 O GLU A 907 -4.775 4.017 6.801 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.467 3.203 9.609 1.00 0.00 C ATOM 1118 CG GLU A 907 -4.815 3.513 10.252 1.00 0.00 C ATOM 1119 CD GLU A 907 -5.598 4.515 9.416 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -5.113 5.662 9.302 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -6.667 4.116 8.906 1.00 0.00 O ATOM 0 H GLU A 907 -1.842 1.612 8.715 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.651 1.970 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.868 2.582 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -2.909 4.125 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -5.391 2.594 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.661 3.912 11.255 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.562 3.714 6.511 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.468 4.637 5.398 1.00 0.00 C ATOM 1130 C TRP A 908 -3.249 4.097 4.209 1.00 0.00 C ATOM 1131 O TRP A 908 -4.128 4.773 3.681 1.00 0.00 O ATOM 1132 CB TRP A 908 -1.001 4.844 5.033 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.764 5.741 3.860 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.773 7.091 3.897 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.483 5.381 2.473 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.519 7.588 2.636 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.332 6.575 1.718 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.340 4.168 1.776 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 -0.055 6.568 0.348 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.063 4.150 0.402 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.080 5.344 -0.314 1.00 0.00 C ATOM 0 H TRP A 908 -1.678 3.275 6.770 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.898 5.598 5.681 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.481 5.256 5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.553 3.872 4.825 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.952 7.689 4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.475 8.582 2.410 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.445 3.234 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.053 7.497 -0.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.041 3.205 -0.110 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.294 5.320 -1.372 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.924 2.872 3.787 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.595 2.244 2.666 1.00 0.00 C ATOM 1154 C ILE A 909 -5.100 2.430 2.797 1.00 0.00 C ATOM 1155 O ILE A 909 -5.746 2.938 1.883 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.233 0.763 2.622 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -1.993 0.566 1.754 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.397 -0.028 2.033 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.909 -0.137 2.566 1.00 0.00 C ATOM 0 H ILE A 909 -2.195 2.300 4.213 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.272 2.710 1.735 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.028 0.410 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.243 -0.025 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.628 1.530 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.139 -1.086 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.282 0.111 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.603 0.326 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.024 -0.278 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.652 0.471 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.276 -1.108 2.900 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.659 2.016 3.936 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.082 2.142 4.176 1.00 0.00 C ATOM 1173 C TRP A 910 -7.506 3.597 4.029 1.00 0.00 C ATOM 1174 O TRP A 910 -8.315 3.927 3.166 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.410 1.621 5.572 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.789 0.306 5.915 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -6.051 0.055 7.018 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.834 -0.951 5.172 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.638 -1.261 7.009 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.094 -1.928 5.891 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.423 -1.364 3.964 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -5.946 -3.242 5.438 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.282 -2.680 3.501 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.546 -3.620 4.233 1.00 0.00 C ATOM 0 H TRP A 910 -5.139 1.591 4.703 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.631 1.550 3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.088 2.361 6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.492 1.531 5.665 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.820 0.775 7.789 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -5.067 -1.688 7.738 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -7.994 -0.655 3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.375 -3.957 6.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.746 -2.972 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.442 -4.631 3.869 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.955 4.468 4.878 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.277 5.880 4.841 1.00 0.00 C ATOM 1197 C ALA A 911 -7.100 6.412 3.426 1.00 0.00 C ATOM 1198 O ALA A 911 -7.823 7.312 3.004 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.379 6.632 5.818 1.00 0.00 C ATOM 0 H ALA A 911 -6.282 4.210 5.599 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.316 6.028 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.621 7.694 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.538 6.250 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.336 6.490 5.536 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.134 5.853 2.694 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.862 6.268 1.333 1.00 0.00 C ATOM 1207 C CYS A 912 -6.990 5.801 0.423 1.00 0.00 C ATOM 1208 O CYS A 912 -7.855 6.590 0.051 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.525 5.688 0.881 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.226 6.294 1.986 1.00 0.00 S ATOM 0 H CYS A 912 -5.527 5.106 3.033 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.804 7.355 1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.560 4.599 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.314 5.982 -0.147 1.00 0.00 H new ATOM 0 HG CYS A 912 -2.061 6.028 1.474 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.979 4.515 0.066 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.998 3.950 -0.796 1.00 0.00 C ATOM 1218 C ILE A 913 -9.369 4.454 -0.370 1.00 0.00 C ATOM 1219 O ILE A 913 -10.208 4.765 -1.213 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.935 2.427 -0.726 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -9.159 1.834 -1.419 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.915 1.985 0.735 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -9.037 0.313 -1.453 1.00 0.00 C ATOM 0 H ILE A 913 -6.268 3.849 0.367 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.823 4.260 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 913 -7.030 2.078 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -10.066 2.125 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -9.242 2.226 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.870 0.897 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.041 2.408 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.819 2.334 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.911 -0.111 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -8.138 0.032 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.975 -0.070 -0.434 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.596 4.536 0.943 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.862 5.001 1.473 1.00 0.00 C ATOM 1237 C ARG A 914 -11.037 6.482 1.167 1.00 0.00 C ATOM 1238 O ARG A 914 -12.158 6.985 1.147 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.905 4.752 2.978 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.325 4.972 3.490 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.319 6.068 4.552 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.264 7.132 4.215 1.00 0.00 N ATOM 1243 CZ ARG A 914 -13.598 8.105 5.073 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -13.059 8.132 6.299 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.472 9.053 4.705 1.00 0.00 N ATOM 0 H ARG A 914 -8.910 4.283 1.655 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.680 4.454 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.581 3.735 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.215 5.424 3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.981 5.253 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.719 4.046 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.577 5.641 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -11.316 6.484 4.644 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.687 7.133 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -12.394 7.411 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -13.314 8.873 6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.883 9.033 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -14.726 9.794 5.359 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.925 7.179 0.927 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.962 8.596 0.623 1.00 0.00 C ATOM 1261 C LYS A 915 -9.848 8.806 -0.880 1.00 0.00 C ATOM 1262 O LYS A 915 -10.097 9.903 -1.376 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.826 9.303 1.355 1.00 0.00 C ATOM 1264 CG LYS A 915 -9.165 9.406 2.840 1.00 0.00 C ATOM 1265 CD LYS A 915 -10.220 10.489 3.047 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.798 10.374 4.454 1.00 0.00 C ATOM 1267 NZ LYS A 915 -10.289 11.446 5.323 1.00 0.00 N ATOM 0 H LYS A 915 -8.988 6.776 0.939 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.910 9.018 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.895 8.753 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.672 10.297 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.535 8.448 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -8.268 9.642 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.778 11.475 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -11.013 10.385 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.886 10.423 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.540 9.404 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.697 11.345 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -9.253 11.382 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -10.557 12.370 4.928 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.471 7.751 -1.605 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.324 7.824 -3.045 1.00 0.00 C ATOM 1283 C ARG A 916 -8.141 8.714 -3.398 1.00 0.00 C ATOM 1284 O ARG A 916 -7.790 8.848 -4.568 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.611 8.368 -3.658 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.074 7.438 -4.776 1.00 0.00 C ATOM 1287 CD ARG A 916 -10.430 7.863 -6.092 1.00 0.00 C ATOM 1288 NE ARG A 916 -10.831 9.222 -6.458 1.00 0.00 N ATOM 1289 CZ ARG A 916 -12.022 9.507 -7.001 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -12.906 8.525 -7.229 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -12.331 10.772 -7.315 1.00 0.00 N ATOM 0 H ARG A 916 -9.263 6.835 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.137 6.828 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.384 8.449 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.444 9.371 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -10.803 6.408 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.160 7.470 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -9.345 7.812 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.718 7.170 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 916 -10.175 9.985 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -12.671 7.562 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -13.813 8.741 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -11.659 11.519 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -13.238 10.988 -7.728 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.525 9.322 -2.381 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.387 10.194 -2.589 1.00 0.00 C ATOM 1307 C ARG A 917 -5.335 9.933 -1.519 1.00 0.00 C ATOM 1308 O ARG A 917 -5.572 10.182 -0.339 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.848 11.648 -2.549 1.00 0.00 C ATOM 1310 CG ARG A 917 -8.226 11.727 -1.899 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.303 11.618 -2.974 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.625 11.926 -2.428 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.746 11.856 -3.157 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.687 11.490 -4.445 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.928 12.152 -2.599 1.00 0.00 N ATOM 0 H ARG A 917 -7.803 9.220 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.943 9.993 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -6.134 12.252 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.887 12.056 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.342 10.925 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.331 12.667 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -9.076 12.302 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.304 10.611 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.696 12.206 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.788 11.265 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -12.541 11.437 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.974 12.431 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -13.782 12.099 -3.154 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.170 9.430 -1.935 1.00 0.00 N ATOM 1330 CA LEU A 918 -3.090 9.139 -1.013 1.00 0.00 C ATOM 1331 C LEU A 918 -3.089 10.157 0.119 1.00 0.00 C ATOM 1332 O LEU A 918 -3.008 11.359 -0.124 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.762 9.163 -1.763 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.540 7.817 -2.448 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.624 6.838 -2.008 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.603 8.000 -3.962 1.00 0.00 C ATOM 0 H LEU A 918 -3.958 9.218 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.231 8.148 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.764 9.964 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.945 9.370 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.562 7.425 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.466 5.877 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.579 6.707 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.603 7.230 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.444 7.039 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.581 8.392 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.828 8.700 -4.276 1.00 0.00 H new ATOM 1348 N VAL A 919 -3.177 9.671 1.359 1.00 0.00 N ATOM 1349 CA VAL A 919 -3.186 10.538 2.521 1.00 0.00 C ATOM 1350 C VAL A 919 -1.782 10.634 3.101 1.00 0.00 C ATOM 1351 O VAL A 919 -0.814 10.235 2.458 1.00 0.00 O ATOM 1352 CB VAL A 919 -4.163 9.989 3.557 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.319 9.291 2.847 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.441 8.991 4.457 1.00 0.00 C ATOM 0 H VAL A 919 -3.243 8.677 1.576 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.509 11.538 2.232 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.551 10.809 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -6.017 8.899 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.835 10.004 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.932 8.471 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -4.138 8.598 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -3.053 8.171 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.615 9.490 4.965 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.673 11.166 4.321 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.391 11.312 4.980 1.00 0.00 C ATOM 1366 C ALA A 920 0.173 9.940 5.319 1.00 0.00 C ATOM 1367 O ALA A 920 -0.379 9.230 6.156 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.562 12.154 6.241 1.00 0.00 C ATOM 0 H ALA A 920 -2.466 11.502 4.867 1.00 0.00 H new ATOM 0 HA ALA A 920 0.310 11.816 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.402 12.265 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.947 13.138 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.263 11.662 6.915 1.00 0.00 H new ATOM 1374 N PRO A 921 1.277 9.569 4.667 1.00 0.00 N ATOM 1375 CA PRO A 921 1.953 8.304 4.861 1.00 0.00 C ATOM 1376 C PRO A 921 2.664 8.306 6.207 1.00 0.00 C ATOM 1377 O PRO A 921 3.402 9.237 6.519 1.00 0.00 O ATOM 1378 CB PRO A 921 2.955 8.216 3.712 1.00 0.00 C ATOM 1379 CG PRO A 921 3.290 9.682 3.442 1.00 0.00 C ATOM 1380 CD PRO A 921 1.953 10.380 3.677 1.00 0.00 C ATOM 0 HA PRO A 921 1.271 7.454 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 921 3.840 7.643 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.524 7.732 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.064 10.051 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.653 9.834 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.097 11.400 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.373 10.443 2.756 1.00 0.00 H new ATOM 1388 N CYS A 922 2.437 7.259 7.003 1.00 0.00 N ATOM 1389 CA CYS A 922 3.052 7.140 8.310 1.00 0.00 C ATOM 1390 C CYS A 922 2.774 5.757 8.881 1.00 0.00 C ATOM 1391 O CYS A 922 3.412 4.783 8.487 1.00 0.00 O ATOM 1392 CB CYS A 922 2.504 8.227 9.230 1.00 0.00 C ATOM 1393 SG CYS A 922 3.830 8.779 10.332 1.00 0.00 S ATOM 0 H CYS A 922 1.826 6.481 6.755 1.00 0.00 H new ATOM 0 HA CYS A 922 4.131 7.268 8.225 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.128 9.065 8.643 1.00 0.00 H new ATOM 0 HB3 CYS A 922 1.665 7.843 9.811 1.00 0.00 H new ATOM 0 HG CYS A 922 3.379 9.708 11.122 1.00 0.00 H new TER 1399 CYS A 922