USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 94 TYR OH : rot 180:sc= -0.437 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.616) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-5.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.8!) USER MOD Single : A 69 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.0017) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 89 THR OG1 : rot -87:sc= 0.035 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.464) USER MOD Single : A 101 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 103 MET CE :methyl -112:sc= -0.394 (180deg=-4.19!) USER MOD Single : A 105 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -149:sc= -0.53 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.213 -9.896 -11.898 1.00 0.00 N ATOM 782 CA ARG A 60 3.108 -8.814 -11.507 1.00 0.00 C ATOM 783 C ARG A 60 3.587 -8.997 -10.070 1.00 0.00 C ATOM 784 O ARG A 60 2.913 -9.629 -9.256 1.00 0.00 O ATOM 785 CB ARG A 60 2.405 -7.463 -11.654 1.00 0.00 C ATOM 786 CG ARG A 60 3.353 -6.313 -11.955 1.00 0.00 C ATOM 787 CD ARG A 60 2.593 -5.033 -12.267 1.00 0.00 C ATOM 788 NE ARG A 60 2.173 -4.972 -13.664 1.00 0.00 N ATOM 789 CZ ARG A 60 2.986 -4.644 -14.662 1.00 0.00 C ATOM 790 NH1 ARG A 60 4.255 -4.349 -14.418 1.00 0.00 N ATOM 791 NH2 ARG A 60 2.530 -4.611 -15.908 1.00 0.00 N ATOM 0 HA ARG A 60 3.975 -8.838 -12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.666 -7.532 -12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.861 -7.244 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.010 -6.149 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.989 -6.576 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.717 -4.965 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.223 -4.173 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 60 1.202 -5.193 -13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.610 -4.374 -13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.877 -4.098 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.554 -4.838 -16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.155 -4.359 -16.673 1.00 0.00 H new ATOM 805 N HIS A 61 4.754 -8.440 -9.765 1.00 0.00 N ATOM 806 CA HIS A 61 5.323 -8.542 -8.426 1.00 0.00 C ATOM 807 C HIS A 61 5.347 -7.179 -7.740 1.00 0.00 C ATOM 808 O HIS A 61 5.997 -6.247 -8.212 1.00 0.00 O ATOM 809 CB HIS A 61 6.739 -9.117 -8.492 1.00 0.00 C ATOM 810 CG HIS A 61 7.114 -9.925 -7.288 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.233 -9.665 -6.526 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.510 -10.993 -6.716 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.302 -10.538 -5.537 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.268 -11.355 -5.629 1.00 0.00 N ATOM 0 H HIS A 61 5.324 -7.913 -10.427 1.00 0.00 H new ATOM 0 HA HIS A 61 4.693 -9.213 -7.841 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.827 -9.742 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.450 -8.298 -8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.602 -11.471 -7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.073 -10.577 -4.782 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.065 -12.129 -4.996 1.00 0.00 H new ATOM 823 N GLY A 62 4.633 -7.070 -6.624 1.00 0.00 N ATOM 824 CA GLY A 62 4.586 -5.818 -5.893 1.00 0.00 C ATOM 825 C GLY A 62 5.037 -5.969 -4.454 1.00 0.00 C ATOM 826 O GLY A 62 5.071 -7.077 -3.919 1.00 0.00 O ATOM 0 H GLY A 62 4.086 -7.827 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.218 -5.085 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.569 -5.428 -5.912 1.00 0.00 H new ATOM 830 N VAL A 63 5.385 -4.851 -3.824 1.00 0.00 N ATOM 831 CA VAL A 63 5.837 -4.864 -2.438 1.00 0.00 C ATOM 832 C VAL A 63 5.322 -3.645 -1.680 1.00 0.00 C ATOM 833 O VAL A 63 5.503 -2.509 -2.117 1.00 0.00 O ATOM 834 CB VAL A 63 7.375 -4.899 -2.349 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.839 -4.470 -0.965 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.897 -6.286 -2.689 1.00 0.00 C ATOM 0 H VAL A 63 5.362 -3.925 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 63 5.434 -5.768 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 63 7.780 -4.196 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.928 -4.501 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.496 -3.455 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.426 -5.147 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.985 -6.292 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.486 -7.012 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.595 -6.550 -3.703 1.00 0.00 H new ATOM 846 N ALA A 64 4.681 -3.890 -0.542 1.00 0.00 N ATOM 847 CA ALA A 64 4.142 -2.812 0.278 1.00 0.00 C ATOM 848 C ALA A 64 5.258 -1.932 0.831 1.00 0.00 C ATOM 849 O ALA A 64 6.172 -2.419 1.498 1.00 0.00 O ATOM 850 CB ALA A 64 3.304 -3.381 1.413 1.00 0.00 C ATOM 0 H ALA A 64 4.522 -4.825 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 64 3.506 -2.192 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.908 -2.565 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.478 -3.961 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.925 -4.025 2.036 1.00 0.00 H new ATOM 856 N ILE A 65 5.179 -0.636 0.549 1.00 0.00 N ATOM 857 CA ILE A 65 6.183 0.310 1.019 1.00 0.00 C ATOM 858 C ILE A 65 5.650 1.146 2.179 1.00 0.00 C ATOM 859 O ILE A 65 6.420 1.728 2.943 1.00 0.00 O ATOM 860 CB ILE A 65 6.640 1.252 -0.110 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.434 1.945 -0.747 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.429 0.480 -1.157 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.799 2.863 -1.892 1.00 0.00 C ATOM 0 H ILE A 65 4.430 -0.217 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 65 7.036 -0.277 1.359 1.00 0.00 H new ATOM 0 HB ILE A 65 7.290 2.016 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.738 1.187 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.911 2.521 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.745 1.159 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.307 0.030 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.801 -0.304 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.895 3.319 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.470 3.643 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.295 2.289 -2.675 1.00 0.00 H new ATOM 875 N TYR A 66 4.329 1.198 2.305 1.00 0.00 N ATOM 876 CA TYR A 66 3.692 1.962 3.371 1.00 0.00 C ATOM 877 C TYR A 66 2.724 1.090 4.164 1.00 0.00 C ATOM 878 O TYR A 66 2.005 0.268 3.597 1.00 0.00 O ATOM 879 CB TYR A 66 2.952 3.168 2.790 1.00 0.00 C ATOM 880 CG TYR A 66 3.870 4.238 2.245 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.846 4.819 3.045 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.764 4.666 0.927 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.686 5.797 2.551 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.601 5.643 0.424 1.00 0.00 C ATOM 885 CZ TYR A 66 5.561 6.205 1.239 1.00 0.00 C ATOM 886 OH TYR A 66 6.397 7.178 0.743 1.00 0.00 O ATOM 0 H TYR A 66 3.678 0.720 1.682 1.00 0.00 H new ATOM 0 HA TYR A 66 4.472 2.313 4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.291 2.828 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.320 3.603 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.949 4.500 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.014 4.227 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.437 6.240 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.504 5.965 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 66 6.178 7.349 -0.197 1.00 0.00 H new ATOM 896 N ASN A 67 2.711 1.276 5.479 1.00 0.00 N ATOM 897 CA ASN A 67 1.832 0.506 6.352 1.00 0.00 C ATOM 898 C ASN A 67 0.373 0.899 6.137 1.00 0.00 C ATOM 899 O ASN A 67 -0.050 1.991 6.517 1.00 0.00 O ATOM 900 CB ASN A 67 2.218 0.720 7.817 1.00 0.00 C ATOM 901 CG ASN A 67 3.718 0.671 8.032 1.00 0.00 C ATOM 902 OD1 ASN A 67 4.333 -0.393 7.958 1.00 0.00 O ATOM 903 ND2 ASN A 67 4.315 1.827 8.300 1.00 0.00 N ATOM 0 H ASN A 67 3.299 1.953 5.964 1.00 0.00 H new ATOM 0 HA ASN A 67 1.947 -0.549 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.837 1.684 8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.740 -0.043 8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.323 1.857 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.766 2.685 8.352 1.00 0.00 H new ATOM 910 N PHE A 68 -0.392 0.001 5.525 1.00 0.00 N ATOM 911 CA PHE A 68 -1.803 0.253 5.259 1.00 0.00 C ATOM 912 C PHE A 68 -2.687 -0.500 6.250 1.00 0.00 C ATOM 913 O PHE A 68 -2.449 -1.671 6.542 1.00 0.00 O ATOM 914 CB PHE A 68 -2.156 -0.160 3.828 1.00 0.00 C ATOM 915 CG PHE A 68 -3.609 0.020 3.493 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.544 -0.928 3.875 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.039 1.138 2.796 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.882 -0.765 3.569 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.376 1.306 2.487 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.298 0.353 2.873 1.00 0.00 C ATOM 0 H PHE A 68 -0.058 -0.908 5.204 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.984 1.321 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.556 0.425 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.885 -1.206 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.224 -1.805 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.322 1.886 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.601 -1.511 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.699 2.182 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.343 0.482 2.631 1.00 0.00 H new ATOM 930 N GLN A 69 -3.705 0.183 6.763 1.00 0.00 N ATOM 931 CA GLN A 69 -4.623 -0.420 7.722 1.00 0.00 C ATOM 932 C GLN A 69 -6.070 -0.097 7.367 1.00 0.00 C ATOM 933 O GLN A 69 -6.476 1.064 7.366 1.00 0.00 O ATOM 934 CB GLN A 69 -4.311 0.071 9.137 1.00 0.00 C ATOM 935 CG GLN A 69 -5.139 -0.611 10.214 1.00 0.00 C ATOM 936 CD GLN A 69 -4.636 -2.002 10.544 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.383 -2.978 10.471 1.00 0.00 O ATOM 938 NE2 GLN A 69 -3.364 -2.100 10.911 1.00 0.00 N ATOM 0 H GLN A 69 -3.915 1.154 6.531 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.491 -1.501 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.254 -0.093 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.482 1.146 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.127 -0.001 11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.176 -0.673 9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.781 -1.264 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.970 -3.011 11.146 1.00 0.00 H new ATOM 947 N GLY A 70 -6.846 -1.134 7.065 1.00 0.00 N ATOM 948 CA GLY A 70 -8.240 -0.940 6.711 1.00 0.00 C ATOM 949 C GLY A 70 -9.186 -1.447 7.782 1.00 0.00 C ATOM 950 O GLY A 70 -8.834 -1.489 8.961 1.00 0.00 O ATOM 0 H GLY A 70 -6.534 -2.105 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.424 0.121 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.449 -1.455 5.773 1.00 0.00 H new ATOM 954 N SER A 71 -10.390 -1.831 7.372 1.00 0.00 N ATOM 955 CA SER A 71 -11.392 -2.332 8.306 1.00 0.00 C ATOM 956 C SER A 71 -11.808 -3.755 7.945 1.00 0.00 C ATOM 957 O SER A 71 -11.872 -4.632 8.805 1.00 0.00 O ATOM 958 CB SER A 71 -12.618 -1.416 8.312 1.00 0.00 C ATOM 959 OG SER A 71 -13.670 -1.979 9.077 1.00 0.00 O ATOM 0 H SER A 71 -10.696 -1.805 6.399 1.00 0.00 H new ATOM 0 HA SER A 71 -10.951 -2.343 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.347 -0.443 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.956 -1.249 7.289 1.00 0.00 H new ATOM 0 HG SER A 71 -14.441 -1.375 9.067 1.00 0.00 H new ATOM 965 N GLY A 72 -12.089 -3.975 6.664 1.00 0.00 N ATOM 966 CA GLY A 72 -12.495 -5.292 6.210 1.00 0.00 C ATOM 967 C GLY A 72 -12.815 -5.322 4.728 1.00 0.00 C ATOM 968 O GLY A 72 -13.111 -4.288 4.130 1.00 0.00 O ATOM 0 H GLY A 72 -12.043 -3.265 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.700 -6.007 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.371 -5.613 6.774 1.00 0.00 H new ATOM 972 N ALA A 73 -12.753 -6.509 4.135 1.00 0.00 N ATOM 973 CA ALA A 73 -13.039 -6.669 2.715 1.00 0.00 C ATOM 974 C ALA A 73 -14.148 -5.724 2.268 1.00 0.00 C ATOM 975 O ALA A 73 -15.009 -5.323 3.052 1.00 0.00 O ATOM 976 CB ALA A 73 -13.418 -8.111 2.411 1.00 0.00 C ATOM 0 H ALA A 73 -12.507 -7.374 4.616 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.136 -6.417 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.629 -8.215 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.593 -8.769 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.304 -8.383 2.985 1.00 0.00 H new ATOM 982 N PRO A 74 -14.130 -5.357 0.978 1.00 0.00 N ATOM 983 CA PRO A 74 -13.111 -5.827 0.035 1.00 0.00 C ATOM 984 C PRO A 74 -11.736 -5.234 0.324 1.00 0.00 C ATOM 985 O PRO A 74 -10.755 -5.567 -0.340 1.00 0.00 O ATOM 986 CB PRO A 74 -13.629 -5.339 -1.320 1.00 0.00 C ATOM 987 CG PRO A 74 -14.483 -4.162 -0.998 1.00 0.00 C ATOM 988 CD PRO A 74 -15.104 -4.454 0.340 1.00 0.00 C ATOM 0 HA PRO A 74 -12.972 -6.907 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.808 -5.063 -1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.201 -6.116 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.890 -3.248 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.249 -4.015 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.250 -3.544 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.081 -4.926 0.235 1.00 0.00 H new ATOM 996 N GLN A 75 -11.674 -4.355 1.319 1.00 0.00 N ATOM 997 CA GLN A 75 -10.418 -3.716 1.695 1.00 0.00 C ATOM 998 C GLN A 75 -9.480 -4.713 2.368 1.00 0.00 C ATOM 999 O GLN A 75 -9.864 -5.400 3.315 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.682 -2.535 2.631 1.00 0.00 C ATOM 1001 CG GLN A 75 -10.983 -1.236 1.900 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.548 -0.168 2.817 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -10.840 0.377 3.664 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.830 0.136 2.652 1.00 0.00 N ATOM 0 H GLN A 75 -12.477 -4.069 1.879 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.939 -3.351 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.521 -2.779 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.813 -2.389 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.069 -0.865 1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.692 -1.432 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.379 -0.341 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.265 0.847 3.240 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.250 -4.786 1.873 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.256 -5.700 2.426 1.00 0.00 C ATOM 1015 C LEU A 76 -6.105 -4.930 3.066 1.00 0.00 C ATOM 1016 O LEU A 76 -5.639 -3.928 2.525 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.719 -6.624 1.332 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.555 -7.532 1.731 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.070 -8.809 2.377 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.691 -7.855 0.520 1.00 0.00 C ATOM 0 H LEU A 76 -7.917 -4.224 1.090 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.740 -6.301 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.538 -7.251 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.402 -6.010 0.489 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.941 -7.003 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.227 -9.442 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.645 -8.559 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.708 -9.342 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.868 -8.502 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.294 -8.363 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.292 -6.931 0.101 1.00 0.00 H new ATOM 1032 N SER A 77 -5.651 -5.407 4.221 1.00 0.00 N ATOM 1033 CA SER A 77 -4.556 -4.763 4.936 1.00 0.00 C ATOM 1034 C SER A 77 -3.215 -5.093 4.289 1.00 0.00 C ATOM 1035 O SER A 77 -3.094 -6.070 3.548 1.00 0.00 O ATOM 1036 CB SER A 77 -4.549 -5.200 6.402 1.00 0.00 C ATOM 1037 OG SER A 77 -4.035 -6.514 6.540 1.00 0.00 O ATOM 0 H SER A 77 -6.025 -6.237 4.681 1.00 0.00 H new ATOM 0 HA SER A 77 -4.708 -3.685 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.946 -4.507 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.562 -5.158 6.802 1.00 0.00 H new ATOM 0 HG SER A 77 -4.039 -6.769 7.486 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.209 -4.273 4.573 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.875 -4.477 4.019 1.00 0.00 C ATOM 1045 C LEU A 78 0.195 -3.944 4.966 1.00 0.00 C ATOM 1046 O LEU A 78 -0.030 -2.973 5.688 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.757 -3.790 2.658 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.332 -4.557 1.467 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.304 -3.695 0.214 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.564 -5.851 1.244 1.00 0.00 C ATOM 0 H LEU A 78 -2.292 -3.460 5.184 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.720 -5.549 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.256 -2.823 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.297 -3.593 2.463 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.369 -4.808 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.717 -4.257 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.899 -2.797 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.275 -3.413 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.988 -6.383 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.483 -5.623 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.637 -6.475 2.135 1.00 0.00 H new ATOM 1062 N GLN A 79 1.359 -4.584 4.955 1.00 0.00 N ATOM 1063 CA GLN A 79 2.465 -4.173 5.813 1.00 0.00 C ATOM 1064 C GLN A 79 3.753 -4.031 5.009 1.00 0.00 C ATOM 1065 O GLN A 79 4.047 -4.852 4.139 1.00 0.00 O ATOM 1066 CB GLN A 79 2.664 -5.182 6.944 1.00 0.00 C ATOM 1067 CG GLN A 79 1.784 -4.920 8.155 1.00 0.00 C ATOM 1068 CD GLN A 79 1.643 -6.136 9.049 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.583 -6.524 9.743 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.463 -6.747 9.036 1.00 0.00 N ATOM 0 H GLN A 79 1.561 -5.389 4.362 1.00 0.00 H new ATOM 0 HA GLN A 79 2.217 -3.202 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.459 -6.184 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.709 -5.166 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.203 -4.096 8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.796 -4.604 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.289 -6.391 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.309 -7.571 9.616 1.00 0.00 H new ATOM 1079 N ILE A 80 4.518 -2.986 5.305 1.00 0.00 N ATOM 1080 CA ILE A 80 5.775 -2.738 4.611 1.00 0.00 C ATOM 1081 C ILE A 80 6.627 -4.001 4.547 1.00 0.00 C ATOM 1082 O ILE A 80 6.745 -4.733 5.530 1.00 0.00 O ATOM 1083 CB ILE A 80 6.585 -1.620 5.294 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.792 -0.312 5.293 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.924 -1.434 4.596 1.00 0.00 C ATOM 1086 CD1 ILE A 80 6.480 0.812 6.035 1.00 0.00 C ATOM 0 H ILE A 80 4.289 -2.297 6.021 1.00 0.00 H new ATOM 0 HA ILE A 80 5.519 -2.424 3.599 1.00 0.00 H new ATOM 0 HB ILE A 80 6.773 -1.908 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.618 -0.003 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.815 -0.489 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.485 -0.641 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.491 -2.363 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.756 -1.165 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.861 1.708 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.630 0.523 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.445 1.016 5.572 1.00 0.00 H new ATOM 1098 N GLY A 81 7.220 -4.251 3.384 1.00 0.00 N ATOM 1099 CA GLY A 81 8.055 -5.426 3.214 1.00 0.00 C ATOM 1100 C GLY A 81 7.249 -6.668 2.892 1.00 0.00 C ATOM 1101 O GLY A 81 7.749 -7.788 3.004 1.00 0.00 O ATOM 0 H GLY A 81 7.137 -3.661 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.773 -5.245 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.629 -5.595 4.125 1.00 0.00 H new ATOM 1105 N ASP A 82 5.998 -6.472 2.492 1.00 0.00 N ATOM 1106 CA ASP A 82 5.120 -7.586 2.152 1.00 0.00 C ATOM 1107 C ASP A 82 4.861 -7.636 0.650 1.00 0.00 C ATOM 1108 O ASP A 82 4.578 -6.615 0.024 1.00 0.00 O ATOM 1109 CB ASP A 82 3.795 -7.467 2.907 1.00 0.00 C ATOM 1110 CG ASP A 82 3.977 -7.529 4.411 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.978 -6.975 4.910 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.119 -8.133 5.088 1.00 0.00 O ATOM 0 H ASP A 82 5.568 -5.552 2.395 1.00 0.00 H new ATOM 0 HA ASP A 82 5.616 -8.511 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.312 -6.527 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.127 -8.269 2.592 1.00 0.00 H new ATOM 1117 N VAL A 83 4.962 -8.832 0.077 1.00 0.00 N ATOM 1118 CA VAL A 83 4.739 -9.015 -1.352 1.00 0.00 C ATOM 1119 C VAL A 83 3.385 -9.664 -1.619 1.00 0.00 C ATOM 1120 O VAL A 83 2.975 -10.584 -0.911 1.00 0.00 O ATOM 1121 CB VAL A 83 5.844 -9.881 -1.986 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.562 -10.110 -3.463 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.206 -9.233 -1.789 1.00 0.00 C ATOM 0 H VAL A 83 5.197 -9.687 0.581 1.00 0.00 H new ATOM 0 HA VAL A 83 4.759 -8.024 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 83 5.852 -10.851 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.353 -10.724 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.605 -10.620 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.525 -9.151 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.975 -9.858 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.213 -8.250 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.407 -9.126 -0.723 1.00 0.00 H new ATOM 1133 N VAL A 84 2.694 -9.179 -2.645 1.00 0.00 N ATOM 1134 CA VAL A 84 1.386 -9.712 -3.007 1.00 0.00 C ATOM 1135 C VAL A 84 1.320 -10.045 -4.493 1.00 0.00 C ATOM 1136 O VAL A 84 1.916 -9.356 -5.321 1.00 0.00 O ATOM 1137 CB VAL A 84 0.260 -8.718 -2.664 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.143 -8.543 -1.158 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.504 -7.382 -3.348 1.00 0.00 C ATOM 0 H VAL A 84 3.018 -8.417 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 84 1.245 -10.624 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.683 -9.122 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.657 -7.837 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.082 -9.505 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.084 -8.161 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.301 -6.691 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.455 -6.969 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.532 -7.526 -4.428 1.00 0.00 H new ATOM 1149 N ARG A 85 0.591 -11.106 -4.824 1.00 0.00 N ATOM 1150 CA ARG A 85 0.448 -11.532 -6.211 1.00 0.00 C ATOM 1151 C ARG A 85 -0.662 -10.750 -6.908 1.00 0.00 C ATOM 1152 O ARG A 85 -1.844 -11.055 -6.746 1.00 0.00 O ATOM 1153 CB ARG A 85 0.151 -13.031 -6.279 1.00 0.00 C ATOM 1154 CG ARG A 85 0.676 -13.699 -7.539 1.00 0.00 C ATOM 1155 CD ARG A 85 2.179 -13.920 -7.468 1.00 0.00 C ATOM 1156 NE ARG A 85 2.517 -15.173 -6.798 1.00 0.00 N ATOM 1157 CZ ARG A 85 2.468 -16.360 -7.391 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.097 -16.456 -8.661 1.00 0.00 N ATOM 1159 NH2 ARG A 85 2.791 -17.455 -6.715 1.00 0.00 N ATOM 0 H ARG A 85 0.090 -11.686 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 85 1.388 -11.332 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.590 -13.520 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.927 -13.182 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.173 -14.655 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.439 -13.082 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.593 -13.925 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.643 -13.089 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 85 2.807 -15.134 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.848 -15.617 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.060 -17.369 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.077 -17.386 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.753 -18.366 -7.172 1.00 0.00 H new ATOM 1173 N ILE A 86 -0.274 -9.742 -7.681 1.00 0.00 N ATOM 1174 CA ILE A 86 -1.236 -8.918 -8.402 1.00 0.00 C ATOM 1175 C ILE A 86 -1.902 -9.706 -9.525 1.00 0.00 C ATOM 1176 O ILE A 86 -1.240 -10.144 -10.466 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.569 -7.663 -8.996 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.055 -6.816 -7.885 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.583 -6.848 -9.785 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.080 -5.824 -8.385 1.00 0.00 C ATOM 0 H ILE A 86 0.700 -9.476 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.992 -8.610 -7.680 1.00 0.00 H new ATOM 0 HB ILE A 86 0.223 -7.977 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.736 -6.277 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.526 -7.476 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.097 -5.964 -10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.985 -7.454 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.395 -6.540 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.480 -5.259 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.890 -6.357 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.610 -5.140 -9.091 1.00 0.00 H new ATOM 1192 N GLN A 87 -3.215 -9.880 -9.420 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.971 -10.614 -10.428 1.00 0.00 C ATOM 1194 C GLN A 87 -4.840 -9.669 -11.252 1.00 0.00 C ATOM 1195 O GLN A 87 -4.985 -9.841 -12.462 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.844 -11.681 -9.765 1.00 0.00 C ATOM 1197 CG GLN A 87 -4.075 -12.600 -8.830 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.669 -13.993 -8.762 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.460 -14.386 -9.620 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.291 -14.750 -7.738 1.00 0.00 N ATOM 0 H GLN A 87 -3.777 -9.523 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.260 -11.100 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.641 -11.191 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.321 -12.281 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.039 -12.667 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.061 -12.166 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.633 -14.385 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.659 -15.696 -7.640 1.00 0.00 H new ATOM 1209 N GLU A 88 -5.416 -8.673 -10.588 1.00 0.00 N ATOM 1210 CA GLU A 88 -6.272 -7.702 -11.259 1.00 0.00 C ATOM 1211 C GLU A 88 -5.821 -6.276 -10.955 1.00 0.00 C ATOM 1212 O GLU A 88 -5.047 -6.042 -10.026 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.729 -7.890 -10.830 1.00 0.00 C ATOM 1214 CG GLU A 88 -8.504 -8.853 -11.714 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.004 -8.201 -12.989 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -8.241 -7.418 -13.593 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -10.157 -8.474 -13.383 1.00 0.00 O ATOM 0 H GLU A 88 -5.306 -8.517 -9.586 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.193 -7.868 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.752 -8.254 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.229 -6.921 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.866 -9.699 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.352 -9.250 -11.156 1.00 0.00 H new ATOM 1224 N THR A 89 -6.310 -5.325 -11.745 1.00 0.00 N ATOM 1225 CA THR A 89 -5.957 -3.923 -11.563 1.00 0.00 C ATOM 1226 C THR A 89 -7.131 -3.012 -11.903 1.00 0.00 C ATOM 1227 O THR A 89 -7.571 -2.954 -13.052 1.00 0.00 O ATOM 1228 CB THR A 89 -4.748 -3.531 -12.433 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.593 -4.275 -12.030 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.462 -2.041 -12.321 1.00 0.00 C ATOM 0 H THR A 89 -6.952 -5.501 -12.518 1.00 0.00 H new ATOM 0 HA THR A 89 -5.695 -3.796 -10.512 1.00 0.00 H new ATOM 0 HB THR A 89 -4.985 -3.763 -13.471 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.135 -3.801 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.604 -1.787 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.333 -1.477 -12.656 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.244 -1.789 -11.283 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.633 -2.302 -10.899 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.756 -1.392 -11.093 1.00 0.00 C ATOM 1240 C CYS A 90 -8.386 0.026 -10.672 1.00 0.00 C ATOM 1241 O CYS A 90 -7.860 0.244 -9.582 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.971 -1.873 -10.298 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.664 -3.437 -10.883 1.00 0.00 S ATOM 0 H CYS A 90 -7.280 -2.339 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.005 -1.382 -12.154 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.687 -1.983 -9.251 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.745 -1.107 -10.339 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.685 -3.761 -10.147 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.664 0.989 -11.546 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.353 2.375 -11.248 1.00 0.00 C ATOM 1251 C GLY A 91 -7.063 2.523 -10.465 1.00 0.00 C ATOM 1252 O GLY A 91 -6.036 1.952 -10.833 1.00 0.00 O ATOM 0 H GLY A 91 -9.099 0.834 -12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.276 2.935 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.172 2.814 -10.679 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.114 3.293 -9.384 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.940 3.516 -8.547 1.00 0.00 C ATOM 1258 C ASP A 92 -5.893 2.512 -7.400 1.00 0.00 C ATOM 1259 O ASP A 92 -5.572 2.867 -6.265 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.945 4.942 -7.995 1.00 0.00 C ATOM 1261 CG ASP A 92 -5.599 5.973 -9.051 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -4.638 5.742 -9.814 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -6.291 7.011 -9.115 1.00 0.00 O ATOM 0 H ASP A 92 -7.956 3.774 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.052 3.377 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.929 5.165 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.231 5.013 -7.174 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.216 1.260 -7.702 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.211 0.205 -6.695 1.00 0.00 C ATOM 1270 C TRP A 93 -5.941 -1.154 -7.331 1.00 0.00 C ATOM 1271 O TRP A 93 -6.393 -1.430 -8.443 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.546 0.177 -5.950 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.827 1.436 -5.186 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.107 2.666 -5.709 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.852 1.587 -3.763 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.305 3.573 -4.696 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.155 2.936 -3.493 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.650 0.715 -2.690 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.259 3.430 -2.195 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.754 1.206 -1.403 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.057 2.553 -1.164 1.00 0.00 C ATOM 0 H TRP A 93 -6.485 0.950 -8.636 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.411 0.418 -5.986 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.350 0.008 -6.666 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.551 -0.667 -5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.164 2.892 -6.763 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.528 4.561 -4.820 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.417 -0.325 -2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.491 4.468 -2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.599 0.540 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.133 2.906 -0.146 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.204 -1.999 -6.620 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.872 -3.329 -7.117 1.00 0.00 C ATOM 1294 C TYR A 94 -5.874 -4.364 -6.614 1.00 0.00 C ATOM 1295 O TYR A 94 -6.729 -4.063 -5.781 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.458 -3.720 -6.685 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.371 -3.059 -7.502 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.294 -3.248 -8.876 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.421 -2.243 -6.899 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.302 -2.646 -9.626 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.427 -1.635 -7.641 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.371 -1.840 -9.003 1.00 0.00 C ATOM 1303 OH TYR A 94 0.618 -1.237 -9.747 1.00 0.00 O ATOM 0 H TYR A 94 -4.825 -1.787 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.918 -3.304 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.322 -3.458 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.350 -4.802 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.022 -3.877 -9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.461 -2.082 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.255 -2.805 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.302 -1.003 -7.157 1.00 0.00 H new ATOM 0 HH TYR A 94 1.191 -0.703 -9.158 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.760 -5.586 -7.125 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.655 -6.666 -6.729 1.00 0.00 C ATOM 1315 C ARG A 95 -5.917 -8.001 -6.700 1.00 0.00 C ATOM 1316 O ARG A 95 -5.560 -8.547 -7.743 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.844 -6.749 -7.688 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.607 -8.061 -7.600 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.473 -8.119 -6.351 1.00 0.00 C ATOM 1320 NE ARG A 95 -10.087 -9.432 -6.171 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.444 -10.482 -5.674 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.174 -10.374 -5.309 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.071 -11.644 -5.541 1.00 0.00 N ATOM 0 H ARG A 95 -5.057 -5.852 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.021 -6.451 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.527 -5.926 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.487 -6.614 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.233 -8.179 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.903 -8.893 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.866 -7.880 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.253 -7.360 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.063 -9.549 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.688 -9.483 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.683 -11.182 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.048 -11.731 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.576 -12.450 -5.159 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.691 -8.521 -5.497 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.996 -9.787 -5.355 1.00 0.00 C ATOM 1339 C GLY A 96 -5.039 -10.315 -3.935 1.00 0.00 C ATOM 1340 O GLY A 96 -6.065 -10.219 -3.260 1.00 0.00 O ATOM 0 H GLY A 96 -5.977 -8.088 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.443 -10.521 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.958 -9.665 -5.663 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.924 -10.877 -3.480 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.840 -11.427 -2.133 1.00 0.00 C ATOM 1346 C TYR A 97 -2.391 -11.502 -1.664 1.00 0.00 C ATOM 1347 O TYR A 97 -1.461 -11.328 -2.453 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.475 -12.818 -2.086 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.790 -13.826 -2.981 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.478 -14.216 -2.744 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.455 -14.388 -4.064 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.848 -15.136 -3.559 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.833 -15.310 -4.884 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.529 -15.681 -4.627 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.906 -16.598 -5.442 1.00 0.00 O ATOM 0 H TYR A 97 -3.066 -10.963 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.386 -10.763 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.455 -13.183 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.523 -12.740 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.941 -13.792 -1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.475 -14.099 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.827 -15.427 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.364 -15.738 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.525 -16.884 -6.146 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.205 -11.762 -0.375 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.869 -11.861 0.202 1.00 0.00 C ATOM 1367 C LEU A 98 -0.242 -13.217 -0.107 1.00 0.00 C ATOM 1368 O LEU A 98 -0.743 -14.256 0.323 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.927 -11.646 1.715 1.00 0.00 C ATOM 1370 CG LEU A 98 0.321 -11.037 2.355 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.696 -9.737 1.662 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.098 -10.806 3.843 1.00 0.00 C ATOM 0 H LEU A 98 -2.963 -11.908 0.291 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.249 -11.084 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.777 -11.001 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.123 -12.607 2.191 1.00 0.00 H new ATOM 0 HG LEU A 98 1.147 -11.739 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.586 -9.318 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.898 -9.931 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.127 -9.028 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.996 -10.372 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.741 -10.124 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.122 -11.756 4.330 1.00 0.00 H new ATOM 1384 N ILE A 99 0.858 -13.198 -0.853 1.00 0.00 N ATOM 1385 CA ILE A 99 1.555 -14.426 -1.216 1.00 0.00 C ATOM 1386 C ILE A 99 1.962 -15.214 0.024 1.00 0.00 C ATOM 1387 O ILE A 99 1.652 -16.399 0.150 1.00 0.00 O ATOM 1388 CB ILE A 99 2.810 -14.132 -2.060 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.446 -13.278 -3.276 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.470 -15.431 -2.497 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.621 -12.528 -3.861 1.00 0.00 C ATOM 0 H ILE A 99 1.285 -12.347 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 99 0.860 -15.021 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 99 3.519 -13.574 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.016 -13.920 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.675 -12.563 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.355 -15.207 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.760 -16.006 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.768 -16.013 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.289 -11.944 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.038 -11.860 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.384 -13.238 -4.179 1.00 0.00 H new ATOM 1403 N LYS A 100 2.657 -14.548 0.939 1.00 0.00 N ATOM 1404 CA LYS A 100 3.105 -15.184 2.173 1.00 0.00 C ATOM 1405 C LYS A 100 1.926 -15.772 2.941 1.00 0.00 C ATOM 1406 O LYS A 100 2.085 -16.719 3.712 1.00 0.00 O ATOM 1407 CB LYS A 100 3.847 -14.174 3.051 1.00 0.00 C ATOM 1408 CG LYS A 100 3.129 -12.841 3.185 1.00 0.00 C ATOM 1409 CD LYS A 100 3.850 -11.914 4.149 1.00 0.00 C ATOM 1410 CE LYS A 100 4.879 -11.054 3.431 1.00 0.00 C ATOM 1411 NZ LYS A 100 6.218 -11.704 3.396 1.00 0.00 N ATOM 0 H LYS A 100 2.923 -13.567 0.850 1.00 0.00 H new ATOM 0 HA LYS A 100 3.784 -15.995 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.988 -14.602 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.839 -14.002 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.057 -12.366 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.110 -13.009 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.125 -11.273 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.343 -12.503 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.543 -10.860 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.957 -10.088 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.900 -11.122 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.158 -12.646 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.532 -11.799 2.409 1.00 0.00 H new ATOM 1425 N HIS A 101 0.743 -15.206 2.725 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.464 -15.677 3.396 1.00 0.00 C ATOM 1427 C HIS A 101 -1.671 -15.591 2.466 1.00 0.00 C ATOM 1428 O HIS A 101 -2.196 -14.507 2.212 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.721 -14.859 4.662 1.00 0.00 C ATOM 1430 CG HIS A 101 0.340 -15.022 5.706 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.535 -16.196 6.403 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.268 -14.152 6.169 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.536 -16.040 7.251 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.998 -14.809 7.129 1.00 0.00 N ATOM 0 H HIS A 101 0.594 -14.421 2.091 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.314 -16.721 3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.797 -13.805 4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.683 -15.151 5.084 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.408 -13.132 5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.913 -16.792 7.929 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.772 -14.411 7.661 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.106 -16.740 1.961 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.251 -16.796 1.060 1.00 0.00 C ATOM 1445 C LYS A 102 -4.559 -16.820 1.844 1.00 0.00 C ATOM 1446 O LYS A 102 -5.599 -17.221 1.322 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.159 -18.032 0.162 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.105 -17.917 -0.925 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.485 -18.721 -2.157 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.261 -19.096 -2.978 1.00 0.00 C ATOM 1451 NZ LYS A 102 -1.612 -19.968 -4.133 1.00 0.00 N ATOM 0 H LYS A 102 -1.682 -17.646 2.161 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.237 -15.901 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.939 -18.903 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.130 -18.207 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.976 -16.870 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.146 -18.267 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.012 -19.626 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.174 -18.142 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.776 -18.190 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.540 -19.609 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.750 -20.201 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.051 -20.844 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.280 -19.469 -4.755 1.00 0.00 H new ATOM 1465 N MET A 103 -4.500 -16.387 3.099 1.00 0.00 N ATOM 1466 CA MET A 103 -5.681 -16.356 3.953 1.00 0.00 C ATOM 1467 C MET A 103 -6.344 -14.983 3.915 1.00 0.00 C ATOM 1468 O MET A 103 -7.466 -14.810 4.393 1.00 0.00 O ATOM 1469 CB MET A 103 -5.306 -16.714 5.392 1.00 0.00 C ATOM 1470 CG MET A 103 -4.732 -18.114 5.540 1.00 0.00 C ATOM 1471 SD MET A 103 -5.845 -19.390 4.919 1.00 0.00 S ATOM 1472 CE MET A 103 -5.107 -19.736 3.324 1.00 0.00 C ATOM 0 H MET A 103 -3.647 -16.053 3.547 1.00 0.00 H new ATOM 0 HA MET A 103 -6.390 -17.093 3.576 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.578 -15.991 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.191 -16.624 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.784 -18.172 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.517 -18.305 6.591 1.00 0.00 H new ATOM 0 HE1 MET A 103 -5.776 -19.398 2.533 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.155 -19.212 3.242 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.940 -20.809 3.225 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.644 -14.008 3.345 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.165 -12.649 3.245 1.00 0.00 C ATOM 1484 C LEU A 104 -6.216 -12.191 1.791 1.00 0.00 C ATOM 1485 O LEU A 104 -5.190 -12.129 1.114 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.300 -11.689 4.064 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.716 -12.251 5.361 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.530 -13.155 5.064 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.308 -11.121 6.295 1.00 0.00 C ATOM 0 H LEU A 104 -4.714 -14.133 2.945 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.179 -12.645 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.477 -11.348 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.899 -10.812 4.309 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.484 -12.845 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.127 -13.546 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.853 -13.983 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.758 -12.585 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.895 -11.539 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.556 -10.500 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.181 -10.513 6.534 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.416 -11.871 1.319 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.600 -11.417 -0.054 1.00 0.00 C ATOM 1503 C GLN A 105 -8.469 -10.164 -0.102 1.00 0.00 C ATOM 1504 O GLN A 105 -9.360 -9.982 0.726 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.235 -12.524 -0.898 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.518 -13.860 -0.788 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.867 -14.805 -1.921 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.459 -14.400 -2.922 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.502 -16.072 -1.769 1.00 0.00 N ATOM 0 H GLN A 105 -8.275 -11.918 1.867 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.620 -11.173 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.273 -12.652 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.246 -12.212 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.441 -13.691 -0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.774 -14.328 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.013 -16.364 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.710 -16.754 -2.498 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.201 -9.301 -1.077 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.966 -8.076 -1.214 1.00 0.00 C ATOM 1520 C GLY A 106 -8.319 -7.092 -2.169 1.00 0.00 C ATOM 1521 O GLY A 106 -7.730 -7.489 -3.175 1.00 0.00 O ATOM 0 H GLY A 106 -7.468 -9.429 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.969 -8.315 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.076 -7.609 -0.235 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.431 -5.806 -1.856 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.852 -4.763 -2.695 1.00 0.00 C ATOM 1527 C ILE A 107 -7.037 -3.778 -1.864 1.00 0.00 C ATOM 1528 O ILE A 107 -7.224 -3.669 -0.652 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.941 -3.991 -3.464 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.983 -3.432 -2.493 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.600 -4.892 -4.497 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.944 -2.455 -3.134 1.00 0.00 C ATOM 0 H ILE A 107 -8.917 -5.461 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.197 -5.260 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.474 -3.156 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.550 -4.259 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.470 -2.937 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.367 -4.332 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.849 -5.245 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.057 -5.746 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.654 -2.100 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.388 -1.609 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.484 -2.952 -3.940 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.134 -3.061 -2.524 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.290 -2.084 -1.846 1.00 0.00 C ATOM 1546 C PHE A 108 -4.843 -0.989 -2.811 1.00 0.00 C ATOM 1547 O PHE A 108 -4.868 -1.154 -4.031 1.00 0.00 O ATOM 1548 CB PHE A 108 -4.067 -2.771 -1.235 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.627 -3.993 -1.989 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -4.216 -5.223 -1.745 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.625 -3.911 -2.942 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.812 -6.349 -2.437 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.217 -5.034 -3.638 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.812 -6.255 -3.385 1.00 0.00 C ATOM 0 H PHE A 108 -5.968 -3.138 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.876 -1.626 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.242 -2.060 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.293 -3.051 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.999 -5.303 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.157 -2.959 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.278 -7.302 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.434 -4.957 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.496 -7.134 -3.927 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.426 0.157 -2.253 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.965 1.301 -3.044 1.00 0.00 C ATOM 1566 C PRO A 109 -2.629 1.033 -3.729 1.00 0.00 C ATOM 1567 O PRO A 109 -1.676 0.579 -3.096 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.820 2.416 -2.005 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.588 1.704 -0.717 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.369 0.423 -0.805 1.00 0.00 C ATOM 0 HA PRO A 109 -4.655 1.541 -3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.988 3.078 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.716 3.034 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.527 1.504 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.921 2.307 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.876 -0.386 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.366 0.530 -0.376 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.567 1.318 -5.025 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.347 1.109 -5.796 1.00 0.00 C ATOM 1580 C LYS A 110 -0.198 1.938 -5.232 1.00 0.00 C ATOM 1581 O LYS A 110 0.947 1.486 -5.194 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.579 1.473 -7.265 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.716 0.700 -7.910 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.165 1.350 -9.208 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.219 1.021 -10.353 1.00 0.00 C ATOM 1586 NZ LYS A 110 -1.111 2.010 -10.459 1.00 0.00 N ATOM 0 H LYS A 110 -3.347 1.694 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.079 0.055 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.789 2.540 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.662 1.290 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.396 -0.324 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.558 0.645 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.171 1.011 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.216 2.431 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.803 0.024 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.776 0.998 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.878 2.165 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.407 2.910 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.273 1.647 -9.961 1.00 0.00 H new ATOM 1600 N SER A 111 -0.510 3.153 -4.793 1.00 0.00 N ATOM 1601 CA SER A 111 0.497 4.046 -4.232 1.00 0.00 C ATOM 1602 C SER A 111 1.228 3.379 -3.071 1.00 0.00 C ATOM 1603 O SER A 111 2.294 3.832 -2.652 1.00 0.00 O ATOM 1604 CB SER A 111 -0.152 5.349 -3.760 1.00 0.00 C ATOM 1605 OG SER A 111 -1.083 5.107 -2.720 1.00 0.00 O ATOM 0 H SER A 111 -1.453 3.542 -4.815 1.00 0.00 H new ATOM 0 HA SER A 111 1.222 4.272 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.618 6.037 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.655 5.833 -4.597 1.00 0.00 H new ATOM 0 HG SER A 111 -1.483 5.955 -2.435 1.00 0.00 H new ATOM 1611 N PHE A 112 0.648 2.301 -2.556 1.00 0.00 N ATOM 1612 CA PHE A 112 1.243 1.570 -1.443 1.00 0.00 C ATOM 1613 C PHE A 112 2.048 0.375 -1.944 1.00 0.00 C ATOM 1614 O PHE A 112 2.977 -0.085 -1.279 1.00 0.00 O ATOM 1615 CB PHE A 112 0.155 1.097 -0.476 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.300 2.162 0.481 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.974 3.282 0.022 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.055 2.041 1.840 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.393 4.263 0.901 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.473 3.018 2.723 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.143 4.131 2.253 1.00 0.00 C ATOM 0 H PHE A 112 -0.234 1.914 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 112 1.918 2.245 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.702 0.745 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.530 0.245 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.174 3.390 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.469 1.173 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.916 5.133 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.276 2.912 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.471 4.896 2.941 1.00 0.00 H new ATOM 1631 N ILE A 113 1.685 -0.123 -3.121 1.00 0.00 N ATOM 1632 CA ILE A 113 2.373 -1.264 -3.713 1.00 0.00 C ATOM 1633 C ILE A 113 3.504 -0.809 -4.629 1.00 0.00 C ATOM 1634 O ILE A 113 3.305 0.026 -5.511 1.00 0.00 O ATOM 1635 CB ILE A 113 1.404 -2.152 -4.514 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.215 -2.563 -3.643 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.128 -3.380 -5.046 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.619 -3.224 -2.343 1.00 0.00 C ATOM 0 H ILE A 113 0.918 0.246 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 113 2.788 -1.845 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 113 1.028 -1.580 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.385 -1.680 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.419 -3.247 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.430 -3.998 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.944 -3.067 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.530 -3.955 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.274 -3.489 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.194 -4.125 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.228 -2.535 -1.758 1.00 0.00 H new ATOM 1650 N HIS A 114 4.692 -1.365 -4.414 1.00 0.00 N ATOM 1651 CA HIS A 114 5.856 -1.019 -5.223 1.00 0.00 C ATOM 1652 C HIS A 114 6.098 -2.068 -6.304 1.00 0.00 C ATOM 1653 O HIS A 114 6.654 -3.133 -6.035 1.00 0.00 O ATOM 1654 CB HIS A 114 7.096 -0.885 -4.339 1.00 0.00 C ATOM 1655 CG HIS A 114 8.330 -0.495 -5.092 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.469 0.719 -5.732 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.486 -1.166 -5.306 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.657 0.777 -6.307 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.294 -0.354 -6.063 1.00 0.00 N ATOM 0 H HIS A 114 4.874 -2.057 -3.687 1.00 0.00 H new ATOM 0 HA HIS A 114 5.659 -0.063 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.902 -0.141 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.274 -1.833 -3.832 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.728 -2.156 -4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.042 1.608 -6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.234 -0.586 -6.385 1.00 0.00 H new ATOM 1668 N ILE A 115 5.677 -1.760 -7.526 1.00 0.00 N ATOM 1669 CA ILE A 115 5.849 -2.676 -8.646 1.00 0.00 C ATOM 1670 C ILE A 115 7.323 -2.844 -8.998 1.00 0.00 C ATOM 1671 O ILE A 115 7.941 -1.949 -9.577 1.00 0.00 O ATOM 1672 CB ILE A 115 5.087 -2.189 -9.893 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.613 -1.956 -9.558 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.227 -3.196 -11.025 1.00 0.00 C ATOM 1675 CD1 ILE A 115 2.877 -3.216 -9.160 1.00 0.00 C ATOM 0 H ILE A 115 5.214 -0.883 -7.765 1.00 0.00 H new ATOM 0 HA ILE A 115 5.441 -3.637 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 115 5.519 -1.243 -10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.543 -1.232 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.118 -1.513 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.683 -2.838 -11.899 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.281 -3.316 -11.277 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.817 -4.156 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.838 -2.975 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.915 -3.934 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.347 -3.648 -8.277 1.00 0.00 H new ATOM 1687 N LYS A 116 7.882 -3.996 -8.646 1.00 0.00 N ATOM 1688 CA LYS A 116 9.284 -4.285 -8.927 1.00 0.00 C ATOM 1689 C LYS A 116 9.502 -4.524 -10.418 1.00 0.00 C ATOM 1690 O LYS A 116 8.911 -5.432 -11.002 1.00 0.00 O ATOM 1691 CB LYS A 116 9.743 -5.508 -8.130 1.00 0.00 C ATOM 1692 CG LYS A 116 9.802 -5.271 -6.631 1.00 0.00 C ATOM 1693 CD LYS A 116 10.183 -6.536 -5.881 1.00 0.00 C ATOM 1694 CE LYS A 116 10.923 -6.217 -4.591 1.00 0.00 C ATOM 1695 NZ LYS A 116 10.943 -7.381 -3.661 1.00 0.00 N ATOM 0 H LYS A 116 7.386 -4.746 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 116 9.875 -3.420 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.065 -6.338 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.730 -5.810 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.527 -4.486 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.833 -4.916 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.285 -7.110 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.810 -7.162 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.946 -5.920 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.448 -5.368 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.952 -7.040 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.097 -7.965 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.794 -7.952 -3.837 1.00 0.00 H new