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= -0.0659 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -121:sc= 0.0425 (180deg=-0.217) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0.556 USER MOD Set 2.2: A 102 LYS NZ :NH3+ -126:sc= 1.12 (180deg=-0.448) USER MOD Single : A 61 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-9!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -7.53! C(o=-7.5!,f=-4.5!) USER MOD Single : A 69 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.56) 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= 0.00273 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -95:sc= 1.14 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -141:sc= -0.0227 (180deg=-1.17) USER MOD Single : A 101 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 103 MET CE :methyl 167:sc= 0 (180deg=-0.252) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.2) 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=-0.024) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.832 -9.641 -11.458 1.00 0.00 N ATOM 782 CA ARG A 60 3.746 -8.572 -11.074 1.00 0.00 C ATOM 783 C ARG A 60 4.097 -8.662 -9.592 1.00 0.00 C ATOM 784 O ARG A 60 3.234 -8.923 -8.753 1.00 0.00 O ATOM 785 CB ARG A 60 3.125 -7.207 -11.380 1.00 0.00 C ATOM 786 CG ARG A 60 4.149 -6.132 -11.707 1.00 0.00 C ATOM 787 CD ARG A 60 3.483 -4.873 -12.239 1.00 0.00 C ATOM 788 NE ARG A 60 3.057 -5.024 -13.628 1.00 0.00 N ATOM 789 CZ ARG A 60 2.760 -4.000 -14.421 1.00 0.00 C ATOM 790 NH1 ARG A 60 2.843 -2.758 -13.965 1.00 0.00 N ATOM 791 NH2 ARG A 60 2.380 -4.218 -15.673 1.00 0.00 N ATOM 0 HA ARG A 60 4.662 -8.686 -11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.438 -7.310 -12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.534 -6.885 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.724 -5.891 -10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.854 -6.512 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.620 -4.630 -11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.177 -4.036 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 60 2.984 -5.967 -14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.136 -2.586 -13.003 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.614 -1.974 -14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.316 -5.172 -16.028 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.152 -3.431 -16.281 1.00 0.00 H new ATOM 805 N HIS A 61 5.370 -8.445 -9.276 1.00 0.00 N ATOM 806 CA HIS A 61 5.836 -8.502 -7.895 1.00 0.00 C ATOM 807 C HIS A 61 5.754 -7.128 -7.237 1.00 0.00 C ATOM 808 O HIS A 61 6.363 -6.167 -7.706 1.00 0.00 O ATOM 809 CB HIS A 61 7.273 -9.023 -7.840 1.00 0.00 C ATOM 810 CG HIS A 61 7.575 -9.817 -6.608 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.663 -9.566 -5.798 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.924 -10.863 -6.046 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.668 -10.424 -4.793 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.623 -11.221 -4.920 1.00 0.00 N ATOM 0 H HIS A 61 6.097 -8.228 -9.958 1.00 0.00 H new ATOM 0 HA HIS A 61 5.189 -9.187 -7.347 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.460 -9.643 -8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.959 -8.178 -7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.022 -11.329 -6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.402 -10.466 -4.002 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.375 -11.980 -4.285 1.00 0.00 H new ATOM 823 N GLY A 62 4.996 -7.043 -6.148 1.00 0.00 N ATOM 824 CA GLY A 62 4.848 -5.782 -5.444 1.00 0.00 C ATOM 825 C GLY A 62 5.195 -5.895 -3.973 1.00 0.00 C ATOM 826 O GLY A 62 5.163 -6.986 -3.402 1.00 0.00 O ATOM 0 H GLY A 62 4.482 -7.824 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.489 -5.033 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.821 -5.431 -5.546 1.00 0.00 H new ATOM 830 N VAL A 63 5.528 -4.766 -3.357 1.00 0.00 N ATOM 831 CA VAL A 63 5.883 -4.743 -1.943 1.00 0.00 C ATOM 832 C VAL A 63 5.294 -3.520 -1.248 1.00 0.00 C ATOM 833 O VAL A 63 5.475 -2.390 -1.700 1.00 0.00 O ATOM 834 CB VAL A 63 7.411 -4.744 -1.747 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.772 -4.236 -0.360 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.976 -6.137 -1.978 1.00 0.00 C ATOM 0 H VAL A 63 5.559 -3.855 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 63 5.466 -5.647 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 63 7.855 -4.071 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.855 -4.244 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.401 -3.219 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.319 -4.881 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.057 -6.120 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.528 -6.834 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.749 -6.458 -2.995 1.00 0.00 H new ATOM 846 N ALA A 64 4.588 -3.755 -0.147 1.00 0.00 N ATOM 847 CA ALA A 64 3.973 -2.673 0.612 1.00 0.00 C ATOM 848 C ALA A 64 5.032 -1.761 1.223 1.00 0.00 C ATOM 849 O ALA A 64 6.017 -2.233 1.792 1.00 0.00 O ATOM 850 CB ALA A 64 3.069 -3.237 1.698 1.00 0.00 C ATOM 0 H ALA A 64 4.428 -4.685 0.239 1.00 0.00 H new ATOM 0 HA ALA A 64 3.370 -2.078 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.617 -2.418 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.285 -3.841 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.657 -3.857 2.375 1.00 0.00 H new ATOM 856 N ILE A 65 4.823 -0.455 1.102 1.00 0.00 N ATOM 857 CA ILE A 65 5.759 0.522 1.643 1.00 0.00 C ATOM 858 C ILE A 65 5.138 1.298 2.799 1.00 0.00 C ATOM 859 O ILE A 65 5.839 1.757 3.701 1.00 0.00 O ATOM 860 CB ILE A 65 6.223 1.517 0.562 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.015 2.186 -0.097 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.076 0.808 -0.479 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.388 3.186 -1.169 1.00 0.00 C ATOM 0 H ILE A 65 4.013 -0.049 0.634 1.00 0.00 H new ATOM 0 HA ILE A 65 6.622 -0.036 2.006 1.00 0.00 H new ATOM 0 HB ILE A 65 6.830 2.289 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.378 1.417 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.426 2.690 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.396 1.524 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.952 0.373 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.492 0.018 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.482 3.621 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.000 3.976 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.951 2.683 -1.955 1.00 0.00 H new ATOM 875 N TYR A 66 3.817 1.439 2.767 1.00 0.00 N ATOM 876 CA TYR A 66 3.100 2.160 3.812 1.00 0.00 C ATOM 877 C TYR A 66 2.083 1.254 4.499 1.00 0.00 C ATOM 878 O TYR A 66 1.299 0.572 3.841 1.00 0.00 O ATOM 879 CB TYR A 66 2.395 3.384 3.225 1.00 0.00 C ATOM 880 CG TYR A 66 3.346 4.450 2.730 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.293 5.012 3.577 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.297 4.896 1.414 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.163 5.988 3.129 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.164 5.869 0.957 1.00 0.00 C ATOM 885 CZ TYR A 66 5.095 6.412 1.818 1.00 0.00 C ATOM 886 OH TYR A 66 5.960 7.383 1.367 1.00 0.00 O ATOM 0 H TYR A 66 3.221 1.064 2.029 1.00 0.00 H new ATOM 0 HA TYR A 66 3.827 2.489 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.758 3.065 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.742 3.815 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.350 4.680 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.568 4.474 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.892 6.416 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.113 6.203 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 66 5.781 7.567 0.421 1.00 0.00 H new ATOM 896 N ASN A 67 2.102 1.254 5.828 1.00 0.00 N ATOM 897 CA ASN A 67 1.182 0.433 6.606 1.00 0.00 C ATOM 898 C ASN A 67 -0.266 0.807 6.307 1.00 0.00 C ATOM 899 O ASN A 67 -0.705 1.919 6.602 1.00 0.00 O ATOM 900 CB ASN A 67 1.463 0.592 8.102 1.00 0.00 C ATOM 901 CG ASN A 67 2.618 -0.273 8.568 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.537 0.205 9.233 1.00 0.00 O ATOM 903 ND2 ASN A 67 2.576 -1.554 8.220 1.00 0.00 N ATOM 0 H ASN A 67 2.745 1.814 6.389 1.00 0.00 H new ATOM 0 HA ASN A 67 1.336 -0.608 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.685 1.637 8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.567 0.333 8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.325 -2.185 8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.794 -1.907 7.668 1.00 0.00 H new ATOM 910 N PHE A 68 -1.004 -0.130 5.720 1.00 0.00 N ATOM 911 CA PHE A 68 -2.404 0.101 5.381 1.00 0.00 C ATOM 912 C PHE A 68 -3.325 -0.704 6.294 1.00 0.00 C ATOM 913 O PHE A 68 -3.056 -1.867 6.593 1.00 0.00 O ATOM 914 CB PHE A 68 -2.664 -0.271 3.920 1.00 0.00 C ATOM 915 CG PHE A 68 -4.095 -0.089 3.500 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.636 1.179 3.370 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.898 -1.187 3.236 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.953 1.349 2.985 1.00 0.00 C ATOM 919 CE2 PHE A 68 -6.215 -1.023 2.850 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.743 0.247 2.724 1.00 0.00 C ATOM 0 H PHE A 68 -0.656 -1.056 5.469 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.617 1.161 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.026 0.337 3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.377 -1.310 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.022 2.045 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.490 -2.182 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.364 2.343 2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.830 -1.887 2.647 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.772 0.378 2.422 1.00 0.00 H new ATOM 930 N GLN A 69 -4.410 -0.074 6.732 1.00 0.00 N ATOM 931 CA GLN A 69 -5.370 -0.731 7.612 1.00 0.00 C ATOM 932 C GLN A 69 -6.767 -0.717 7.000 1.00 0.00 C ATOM 933 O GLN A 69 -7.352 0.343 6.787 1.00 0.00 O ATOM 934 CB GLN A 69 -5.393 -0.045 8.979 1.00 0.00 C ATOM 935 CG GLN A 69 -4.079 -0.153 9.735 1.00 0.00 C ATOM 936 CD GLN A 69 -3.881 0.978 10.726 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.840 1.630 11.141 1.00 0.00 O ATOM 938 NE2 GLN A 69 -2.633 1.216 11.111 1.00 0.00 N ATOM 0 H GLN A 69 -4.646 0.889 6.493 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.058 -1.768 7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.639 1.008 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.187 -0.483 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.046 -1.105 10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.254 -0.156 9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.869 0.651 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.438 1.964 11.776 1.00 0.00 H new ATOM 947 N GLY A 70 -7.296 -1.904 6.718 1.00 0.00 N ATOM 948 CA GLY A 70 -8.620 -2.007 6.132 1.00 0.00 C ATOM 949 C GLY A 70 -9.651 -2.518 7.118 1.00 0.00 C ATOM 950 O GLY A 70 -9.360 -2.682 8.302 1.00 0.00 O ATOM 0 H GLY A 70 -6.831 -2.796 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.928 -1.029 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.582 -2.675 5.271 1.00 0.00 H new ATOM 954 N SER A 71 -10.862 -2.769 6.628 1.00 0.00 N ATOM 955 CA SER A 71 -11.942 -3.259 7.476 1.00 0.00 C ATOM 956 C SER A 71 -12.440 -4.617 6.990 1.00 0.00 C ATOM 957 O SER A 71 -12.585 -5.554 7.774 1.00 0.00 O ATOM 958 CB SER A 71 -13.098 -2.257 7.495 1.00 0.00 C ATOM 959 OG SER A 71 -12.900 -1.270 8.492 1.00 0.00 O ATOM 0 H SER A 71 -11.119 -2.641 5.649 1.00 0.00 H new ATOM 0 HA SER A 71 -11.553 -3.374 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.186 -1.780 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.035 -2.782 7.679 1.00 0.00 H new ATOM 0 HG SER A 71 -13.651 -0.641 8.483 1.00 0.00 H new ATOM 965 N GLY A 72 -12.700 -4.715 5.690 1.00 0.00 N ATOM 966 CA GLY A 72 -13.179 -5.961 5.121 1.00 0.00 C ATOM 967 C GLY A 72 -13.321 -5.893 3.613 1.00 0.00 C ATOM 968 O GLY A 72 -13.521 -4.818 3.050 1.00 0.00 O ATOM 0 H GLY A 72 -12.587 -3.954 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.490 -6.765 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.143 -6.212 5.563 1.00 0.00 H new ATOM 972 N ALA A 73 -13.216 -7.045 2.958 1.00 0.00 N ATOM 973 CA ALA A 73 -13.334 -7.111 1.507 1.00 0.00 C ATOM 974 C ALA A 73 -14.402 -6.148 0.998 1.00 0.00 C ATOM 975 O ALA A 73 -15.341 -5.793 1.710 1.00 0.00 O ATOM 976 CB ALA A 73 -13.652 -8.533 1.068 1.00 0.00 C ATOM 0 H ALA A 73 -13.050 -7.944 3.409 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.378 -6.813 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.737 -8.568 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.853 -9.201 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.593 -8.850 1.516 1.00 0.00 H new ATOM 982 N PRO A 74 -14.256 -5.714 -0.262 1.00 0.00 N ATOM 983 CA PRO A 74 -13.142 -6.130 -1.119 1.00 0.00 C ATOM 984 C PRO A 74 -11.809 -5.547 -0.661 1.00 0.00 C ATOM 985 O PRO A 74 -10.761 -5.848 -1.232 1.00 0.00 O ATOM 986 CB PRO A 74 -13.524 -5.574 -2.493 1.00 0.00 C ATOM 987 CG PRO A 74 -14.417 -4.419 -2.199 1.00 0.00 C ATOM 988 CD PRO A 74 -15.168 -4.784 -0.949 1.00 0.00 C ATOM 0 HA PRO A 74 -13.000 -7.211 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.642 -5.261 -3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.034 -6.325 -3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.839 -3.506 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.102 -4.235 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.382 -3.907 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.124 -5.254 -1.178 1.00 0.00 H new ATOM 996 N GLN A 75 -11.858 -4.713 0.373 1.00 0.00 N ATOM 997 CA GLN A 75 -10.654 -4.088 0.907 1.00 0.00 C ATOM 998 C GLN A 75 -9.761 -5.121 1.589 1.00 0.00 C ATOM 999 O GLN A 75 -10.250 -6.060 2.219 1.00 0.00 O ATOM 1000 CB GLN A 75 -11.023 -2.983 1.897 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.412 -1.673 1.230 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.367 -0.851 2.072 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.959 -0.186 3.025 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.648 -0.890 1.725 1.00 0.00 N ATOM 0 H GLN A 75 -12.718 -4.455 0.857 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.103 -3.650 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.851 -3.325 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.178 -2.805 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.513 -1.089 1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.873 -1.884 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.944 -1.454 0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.336 -0.356 2.255 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.452 -4.941 1.459 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.490 -5.857 2.062 1.00 0.00 C ATOM 1015 C LEU A 76 -6.407 -5.092 2.816 1.00 0.00 C ATOM 1016 O LEU A 76 -5.942 -4.046 2.362 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.853 -6.740 0.987 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.624 -7.541 1.418 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.042 -8.834 2.101 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.730 -7.832 0.222 1.00 0.00 C ATOM 0 H LEU A 76 -8.032 -4.169 0.941 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.024 -6.488 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.608 -7.438 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.573 -6.107 0.145 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.057 -6.944 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.154 -9.391 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.640 -8.603 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.632 -9.436 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.860 -8.403 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.287 -8.409 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.401 -6.893 -0.224 1.00 0.00 H new ATOM 1032 N SER A 77 -6.009 -5.621 3.968 1.00 0.00 N ATOM 1033 CA SER A 77 -4.981 -4.987 4.785 1.00 0.00 C ATOM 1034 C SER A 77 -3.591 -5.253 4.215 1.00 0.00 C ATOM 1035 O SER A 77 -3.418 -6.111 3.348 1.00 0.00 O ATOM 1036 CB SER A 77 -5.060 -5.495 6.226 1.00 0.00 C ATOM 1037 OG SER A 77 -5.081 -6.912 6.266 1.00 0.00 O ATOM 0 H SER A 77 -6.383 -6.487 4.357 1.00 0.00 H new ATOM 0 HA SER A 77 -5.157 -3.911 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.206 -5.124 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.956 -5.101 6.705 1.00 0.00 H new ATOM 0 HG SER A 77 -5.130 -7.212 7.198 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.605 -4.513 4.708 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.229 -4.669 4.248 1.00 0.00 C ATOM 1045 C LEU A 78 -0.243 -4.195 5.311 1.00 0.00 C ATOM 1046 O LEU A 78 -0.565 -3.334 6.130 1.00 0.00 O ATOM 1047 CB LEU A 78 -1.012 -3.887 2.951 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.440 -4.593 1.664 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.363 -3.639 0.482 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.576 -5.821 1.417 1.00 0.00 C ATOM 0 H LEU A 78 -2.732 -3.799 5.426 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.053 -5.728 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.555 -2.945 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.047 -3.640 2.872 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.474 -4.918 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.671 -4.158 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.024 -2.790 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.339 -3.284 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.895 -6.311 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.467 -5.519 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.681 -6.514 2.252 1.00 0.00 H new ATOM 1062 N GLN A 79 0.959 -4.760 5.290 1.00 0.00 N ATOM 1063 CA GLN A 79 1.993 -4.394 6.252 1.00 0.00 C ATOM 1064 C GLN A 79 3.295 -4.037 5.542 1.00 0.00 C ATOM 1065 O GLN A 79 3.745 -4.759 4.652 1.00 0.00 O ATOM 1066 CB GLN A 79 2.232 -5.540 7.237 1.00 0.00 C ATOM 1067 CG GLN A 79 1.286 -5.526 8.427 1.00 0.00 C ATOM 1068 CD GLN A 79 1.625 -6.589 9.454 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.267 -7.591 9.138 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.196 -6.374 10.692 1.00 0.00 N ATOM 0 H GLN A 79 1.242 -5.473 4.618 1.00 0.00 H new ATOM 0 HA GLN A 79 1.649 -3.518 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.126 -6.489 6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.259 -5.489 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.319 -4.545 8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.265 -5.677 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.667 -5.529 10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.395 -7.054 11.426 1.00 0.00 H new ATOM 1079 N ILE A 80 3.894 -2.921 5.942 1.00 0.00 N ATOM 1080 CA ILE A 80 5.145 -2.470 5.344 1.00 0.00 C ATOM 1081 C ILE A 80 6.169 -3.598 5.296 1.00 0.00 C ATOM 1082 O ILE A 80 6.502 -4.193 6.320 1.00 0.00 O ATOM 1083 CB ILE A 80 5.743 -1.281 6.120 1.00 0.00 C ATOM 1084 CG1 ILE A 80 4.755 -0.113 6.147 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.063 -0.853 5.497 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.216 1.048 7.000 1.00 0.00 C ATOM 0 H ILE A 80 3.534 -2.312 6.677 1.00 0.00 H new ATOM 0 HA ILE A 80 4.912 -2.150 4.328 1.00 0.00 H new ATOM 0 HB ILE A 80 5.933 -1.594 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.591 0.238 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.794 -0.469 6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.473 -0.012 6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.766 -1.686 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.897 -0.554 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.467 1.839 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.352 0.713 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.161 1.430 6.615 1.00 0.00 H new ATOM 1098 N GLY A 81 6.668 -3.886 4.097 1.00 0.00 N ATOM 1099 CA GLY A 81 7.651 -4.942 3.937 1.00 0.00 C ATOM 1100 C GLY A 81 7.022 -6.267 3.556 1.00 0.00 C ATOM 1101 O GLY A 81 7.622 -7.325 3.750 1.00 0.00 O ATOM 0 H GLY A 81 6.409 -3.407 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.370 -4.651 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.206 -5.061 4.867 1.00 0.00 H new ATOM 1105 N ASP A 82 5.811 -6.211 3.014 1.00 0.00 N ATOM 1106 CA ASP A 82 5.100 -7.417 2.605 1.00 0.00 C ATOM 1107 C ASP A 82 5.031 -7.518 1.085 1.00 0.00 C ATOM 1108 O ASP A 82 4.808 -6.523 0.395 1.00 0.00 O ATOM 1109 CB ASP A 82 3.688 -7.426 3.193 1.00 0.00 C ATOM 1110 CG ASP A 82 2.731 -6.545 2.416 1.00 0.00 C ATOM 1111 OD1 ASP A 82 2.502 -6.828 1.221 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.211 -5.571 3.001 1.00 0.00 O ATOM 0 H ASP A 82 5.301 -5.344 2.847 1.00 0.00 H new ATOM 0 HA ASP A 82 5.649 -8.279 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.309 -8.448 3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.727 -7.089 4.229 1.00 0.00 H new ATOM 1117 N VAL A 83 5.226 -8.727 0.568 1.00 0.00 N ATOM 1118 CA VAL A 83 5.186 -8.959 -0.872 1.00 0.00 C ATOM 1119 C VAL A 83 3.898 -9.665 -1.279 1.00 0.00 C ATOM 1120 O VAL A 83 3.684 -10.830 -0.944 1.00 0.00 O ATOM 1121 CB VAL A 83 6.390 -9.799 -1.338 1.00 0.00 C ATOM 1122 CG1 VAL A 83 6.257 -10.149 -2.812 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.691 -9.057 -1.073 1.00 0.00 C ATOM 0 H VAL A 83 5.413 -9.561 1.124 1.00 0.00 H new ATOM 0 HA VAL A 83 5.227 -7.981 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 83 6.406 -10.728 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.116 -10.743 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.344 -10.723 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.216 -9.233 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.531 -9.665 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.688 -8.112 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.788 -8.862 -0.005 1.00 0.00 H new ATOM 1133 N VAL A 84 3.043 -8.953 -2.006 1.00 0.00 N ATOM 1134 CA VAL A 84 1.776 -9.512 -2.461 1.00 0.00 C ATOM 1135 C VAL A 84 1.792 -9.756 -3.966 1.00 0.00 C ATOM 1136 O VAL A 84 2.386 -8.988 -4.723 1.00 0.00 O ATOM 1137 CB VAL A 84 0.596 -8.584 -2.116 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.607 -8.236 -0.635 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.641 -7.325 -2.968 1.00 0.00 C ATOM 0 H VAL A 84 3.205 -7.988 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 84 1.645 -10.462 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.333 -9.110 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.234 -7.580 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.523 -9.149 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.540 -7.729 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.200 -6.681 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.575 -6.794 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.581 -7.597 -4.022 1.00 0.00 H new ATOM 1149 N ARG A 85 1.135 -10.829 -4.393 1.00 0.00 N ATOM 1150 CA ARG A 85 1.075 -11.175 -5.808 1.00 0.00 C ATOM 1151 C ARG A 85 -0.008 -10.369 -6.519 1.00 0.00 C ATOM 1152 O ARG A 85 -1.177 -10.408 -6.136 1.00 0.00 O ATOM 1153 CB ARG A 85 0.806 -12.671 -5.978 1.00 0.00 C ATOM 1154 CG ARG A 85 1.381 -13.252 -7.260 1.00 0.00 C ATOM 1155 CD ARG A 85 2.862 -13.566 -7.113 1.00 0.00 C ATOM 1156 NE ARG A 85 3.086 -14.882 -6.520 1.00 0.00 N ATOM 1157 CZ ARG A 85 4.293 -15.388 -6.290 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.378 -14.693 -6.602 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.415 -16.593 -5.747 1.00 0.00 N ATOM 0 H ARG A 85 0.637 -11.474 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 85 2.038 -10.933 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.226 -13.206 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.270 -12.842 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.840 -14.160 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.237 -12.546 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.341 -13.523 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.334 -12.804 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 85 2.272 -15.443 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.288 -13.767 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.303 -15.084 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.582 -17.131 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.341 -16.981 -5.570 1.00 0.00 H new ATOM 1173 N ILE A 86 0.390 -9.638 -7.555 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.546 -8.823 -8.319 1.00 0.00 C ATOM 1175 C ILE A 86 -1.149 -9.615 -9.475 1.00 0.00 C ATOM 1176 O ILE A 86 -0.428 -10.128 -10.330 1.00 0.00 O ATOM 1177 CB ILE A 86 0.133 -7.559 -8.878 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.632 -6.674 -7.733 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -0.830 -6.789 -9.769 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.666 -5.657 -8.163 1.00 0.00 C ATOM 0 H ILE A 86 1.354 -9.594 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.338 -8.526 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 86 0.990 -7.861 -9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.217 -6.153 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.058 -7.307 -6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.335 -5.899 -10.156 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.141 -7.421 -10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.705 -6.495 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.974 -5.065 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.532 -6.172 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.237 -5.000 -8.920 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.474 -9.709 -9.493 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.174 -10.438 -10.544 1.00 0.00 C ATOM 1194 C GLN A 87 -3.853 -9.477 -11.514 1.00 0.00 C ATOM 1195 O GLN A 87 -3.821 -9.679 -12.727 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.210 -11.385 -9.936 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.631 -12.336 -8.901 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.440 -13.611 -8.763 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -4.166 -14.608 -9.431 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -5.443 -13.585 -7.893 1.00 0.00 N ATOM 0 H GLN A 87 -3.085 -9.290 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.438 -11.023 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.001 -10.796 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.671 -11.967 -10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.607 -12.588 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.586 -11.832 -7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.634 -12.736 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.022 -14.414 -7.757 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.467 -8.431 -10.969 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.155 -7.439 -11.788 1.00 0.00 C ATOM 1211 C GLU A 88 -4.786 -6.024 -11.352 1.00 0.00 C ATOM 1212 O GLU A 88 -4.466 -5.783 -10.188 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.670 -7.634 -11.697 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.413 -7.227 -12.959 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.277 -8.249 -14.071 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.718 -9.401 -13.874 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.730 -7.898 -15.137 1.00 0.00 O ATOM 0 H GLU A 88 -4.502 -8.249 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.839 -7.576 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.881 -8.682 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.053 -7.054 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.469 -7.088 -12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.034 -6.266 -13.306 1.00 0.00 H new ATOM 1224 N THR A 89 -4.833 -5.090 -12.297 1.00 0.00 N ATOM 1225 CA THR A 89 -4.502 -3.699 -12.013 1.00 0.00 C ATOM 1226 C THR A 89 -5.525 -2.753 -12.631 1.00 0.00 C ATOM 1227 O THR A 89 -5.620 -2.639 -13.854 1.00 0.00 O ATOM 1228 CB THR A 89 -3.100 -3.336 -12.540 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.111 -4.150 -11.901 1.00 0.00 O ATOM 1230 CG2 THR A 89 -2.793 -1.867 -12.292 1.00 0.00 C ATOM 0 H THR A 89 -5.097 -5.272 -13.265 1.00 0.00 H new ATOM 0 HA THR A 89 -4.515 -3.586 -10.929 1.00 0.00 H new ATOM 0 HB THR A 89 -3.081 -3.518 -13.614 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.738 -3.669 -11.133 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.798 -1.634 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.531 -1.250 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.829 -1.663 -11.222 1.00 0.00 H new ATOM 1238 N CYS A 90 -6.288 -2.076 -11.780 1.00 0.00 N ATOM 1239 CA CYS A 90 -7.305 -1.139 -12.243 1.00 0.00 C ATOM 1240 C CYS A 90 -7.120 0.229 -11.595 1.00 0.00 C ATOM 1241 O CYS A 90 -6.810 0.328 -10.409 1.00 0.00 O ATOM 1242 CB CYS A 90 -8.703 -1.678 -11.934 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.244 -3.003 -13.039 1.00 0.00 S ATOM 0 H CYS A 90 -6.222 -2.159 -10.766 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.196 -1.027 -13.322 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.721 -2.045 -10.908 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.418 -0.857 -11.991 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.436 -3.394 -12.697 1.00 0.00 H new ATOM 1249 N GLY A 91 -7.310 1.282 -12.384 1.00 0.00 N ATOM 1250 CA GLY A 91 -7.158 2.631 -11.870 1.00 0.00 C ATOM 1251 C GLY A 91 -5.964 2.768 -10.946 1.00 0.00 C ATOM 1252 O GLY A 91 -4.839 2.440 -11.322 1.00 0.00 O ATOM 0 H GLY A 91 -7.566 1.225 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.050 3.324 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.063 2.916 -11.334 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.209 3.255 -9.734 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.144 3.435 -8.754 1.00 0.00 C ATOM 1258 C ASP A 92 -5.264 2.413 -7.628 1.00 0.00 C ATOM 1259 O ASP A 92 -5.155 2.756 -6.450 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.186 4.852 -8.179 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.345 5.826 -8.980 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -4.329 5.713 -10.224 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -3.702 6.702 -8.364 1.00 0.00 O ATOM 0 H ASP A 92 -7.135 3.532 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.190 3.283 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.218 5.201 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.833 4.833 -7.148 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.490 1.157 -7.997 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.625 0.085 -7.018 1.00 0.00 C ATOM 1270 C TRP A 93 -5.246 -1.260 -7.627 1.00 0.00 C ATOM 1271 O TRP A 93 -5.621 -1.567 -8.759 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.058 0.032 -6.485 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.446 1.249 -5.701 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -7.683 2.500 -6.194 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.639 1.330 -4.284 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.012 3.354 -5.169 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -7.993 2.661 -3.988 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.550 0.408 -3.238 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.256 3.089 -2.689 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.810 0.835 -1.950 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.161 2.165 -1.684 1.00 0.00 C ATOM 0 H TRP A 93 -5.584 0.856 -8.967 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.944 0.293 -6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.745 -0.086 -7.323 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.171 -0.849 -5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.621 2.777 -7.236 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.234 4.344 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.283 -0.620 -3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.525 4.114 -2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.741 0.131 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.360 2.467 -0.666 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.502 -2.059 -6.871 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.070 -3.371 -7.338 1.00 0.00 C ATOM 1294 C TYR A 94 -5.037 -4.458 -6.879 1.00 0.00 C ATOM 1295 O TYR A 94 -5.826 -4.253 -5.956 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.661 -3.678 -6.830 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.569 -2.991 -7.619 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.463 -3.166 -8.993 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.644 -2.166 -6.990 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.467 -2.541 -9.718 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.354 -1.536 -7.707 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.439 -1.727 -9.071 1.00 0.00 C ATOM 1303 OH TYR A 94 1.432 -1.101 -9.789 1.00 0.00 O ATOM 0 H TYR A 94 -4.185 -1.821 -5.931 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.060 -3.356 -8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.587 -3.377 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.499 -4.755 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.172 -3.802 -9.503 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.707 -2.015 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.398 -2.689 -10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.064 -0.897 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 94 1.985 -0.564 -9.184 1.00 0.00 H new ATOM 1313 N ARG A 95 -4.968 -5.615 -7.529 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.837 -6.735 -7.189 1.00 0.00 C ATOM 1315 C ARG A 95 -5.033 -8.025 -7.052 1.00 0.00 C ATOM 1316 O ARG A 95 -4.475 -8.526 -8.027 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.922 -6.908 -8.253 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.226 -7.468 -7.708 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.248 -8.987 -7.767 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.277 -9.554 -6.900 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.418 -10.857 -6.681 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.599 -11.723 -7.263 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.379 -11.296 -5.878 1.00 0.00 N ATOM 0 H ARG A 95 -4.319 -5.801 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.309 -6.518 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.118 -5.943 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.550 -7.571 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.361 -7.141 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.063 -7.068 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.423 -9.307 -8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.273 -9.375 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.923 -8.915 -6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.859 -11.389 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.709 -12.723 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.010 -10.633 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.486 -12.296 -5.711 1.00 0.00 H new ATOM 1337 N GLY A 96 -4.979 -8.556 -5.835 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.240 -9.782 -5.593 1.00 0.00 C ATOM 1339 C GLY A 96 -4.406 -10.288 -4.174 1.00 0.00 C ATOM 1340 O GLY A 96 -5.485 -10.181 -3.591 1.00 0.00 O ATOM 0 H GLY A 96 -5.433 -8.160 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.576 -10.549 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.182 -9.611 -5.793 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.335 -10.843 -3.617 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.368 -11.372 -2.258 1.00 0.00 C ATOM 1346 C TYR A 97 -1.963 -11.445 -1.668 1.00 0.00 C ATOM 1347 O TYR A 97 -0.969 -11.357 -2.389 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.012 -12.760 -2.244 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.261 -13.784 -3.065 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.008 -14.237 -2.669 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -3.803 -14.297 -4.237 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.318 -15.172 -3.416 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.120 -15.234 -4.989 1.00 0.00 C ATOM 1354 CZ TYR A 97 -1.878 -15.668 -4.575 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.195 -16.599 -5.323 1.00 0.00 O ATOM 0 H TYR A 97 -2.434 -10.938 -4.085 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.965 -10.696 -1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.078 -13.110 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.032 -12.682 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.566 -13.851 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.774 -13.958 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.345 -15.513 -3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.557 -15.624 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.729 -16.845 -6.107 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.890 -11.607 -0.351 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.607 -11.692 0.338 1.00 0.00 C ATOM 1367 C LEU A 98 0.048 -13.050 0.104 1.00 0.00 C ATOM 1368 O LEU A 98 -0.493 -14.086 0.493 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.796 -11.456 1.838 1.00 0.00 C ATOM 1370 CG LEU A 98 0.484 -11.372 2.670 1.00 0.00 C ATOM 1371 CD1 LEU A 98 1.382 -10.257 2.157 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.152 -11.157 4.140 1.00 0.00 C ATOM 0 H LEU A 98 -2.703 -11.682 0.260 1.00 0.00 H new ATOM 0 HA LEU A 98 0.047 -10.919 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.354 -10.530 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.413 -12.261 2.237 1.00 0.00 H new ATOM 0 HG LEU A 98 1.020 -12.316 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.288 -10.212 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.648 -10.453 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.855 -9.305 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.075 -11.100 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.406 -10.228 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.451 -11.989 4.502 1.00 0.00 H new ATOM 1384 N ILE A 99 1.214 -13.036 -0.532 1.00 0.00 N ATOM 1385 CA ILE A 99 1.944 -14.266 -0.814 1.00 0.00 C ATOM 1386 C ILE A 99 2.317 -14.992 0.474 1.00 0.00 C ATOM 1387 O ILE A 99 1.989 -16.164 0.657 1.00 0.00 O ATOM 1388 CB ILE A 99 3.225 -13.988 -1.623 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.893 -13.191 -2.886 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.919 -15.293 -1.981 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.092 -12.502 -3.498 1.00 0.00 C ATOM 0 H ILE A 99 1.674 -12.187 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 99 1.281 -14.898 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 99 3.903 -13.395 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.454 -13.862 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.138 -12.443 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.822 -15.080 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.184 -15.826 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.248 -15.910 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.782 -11.956 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.519 -11.806 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.840 -13.247 -3.770 1.00 0.00 H new ATOM 1403 N LYS A 100 3.004 -14.287 1.366 1.00 0.00 N ATOM 1404 CA LYS A 100 3.421 -14.862 2.640 1.00 0.00 C ATOM 1405 C LYS A 100 2.248 -15.541 3.340 1.00 0.00 C ATOM 1406 O LYS A 100 2.432 -16.487 4.106 1.00 0.00 O ATOM 1407 CB LYS A 100 4.009 -13.776 3.544 1.00 0.00 C ATOM 1408 CG LYS A 100 3.028 -12.666 3.879 1.00 0.00 C ATOM 1409 CD LYS A 100 3.484 -11.865 5.087 1.00 0.00 C ATOM 1410 CE LYS A 100 4.532 -10.830 4.707 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.898 -11.420 4.647 1.00 0.00 N ATOM 0 H LYS A 100 3.284 -13.316 1.230 1.00 0.00 H new ATOM 0 HA LYS A 100 4.185 -15.613 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.356 -14.235 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.882 -13.343 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.921 -12.003 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.045 -13.095 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.626 -11.367 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.893 -12.540 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.281 -10.397 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.519 -10.017 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.586 -10.744 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.922 -12.298 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.142 -11.631 3.658 1.00 0.00 H new ATOM 1425 N HIS A 101 1.041 -15.053 3.071 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.163 -15.614 3.673 1.00 0.00 C ATOM 1427 C HIS A 101 -1.358 -15.468 2.737 1.00 0.00 C ATOM 1428 O HIS A 101 -1.905 -14.376 2.576 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.458 -14.929 5.008 1.00 0.00 C ATOM 1430 CG HIS A 101 0.647 -15.066 6.009 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.971 -16.262 6.614 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.507 -14.149 6.510 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.980 -16.075 7.444 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.325 -14.800 7.400 1.00 0.00 N ATOM 0 H HIS A 101 0.871 -14.270 2.440 1.00 0.00 H new ATOM 0 HA HIS A 101 0.010 -16.676 3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.646 -13.870 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.372 -15.349 5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.543 -13.100 6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.445 -16.835 8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.076 -14.370 7.939 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.759 -16.574 2.120 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.890 -16.570 1.200 1.00 0.00 C ATOM 1445 C LYS A 102 -4.208 -16.707 1.956 1.00 0.00 C ATOM 1446 O LYS A 102 -5.173 -17.273 1.443 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.752 -17.707 0.184 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.594 -17.523 -0.781 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.527 -18.654 -1.794 1.00 0.00 C ATOM 1450 CE LYS A 102 -0.101 -18.902 -2.259 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.266 -18.035 -3.412 1.00 0.00 N ATOM 0 H LYS A 102 -1.317 -17.485 2.241 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.892 -15.617 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.622 -18.648 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.678 -17.789 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.702 -16.572 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.658 -17.477 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.930 -19.565 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.154 -18.413 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.587 -18.719 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.012 -19.949 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.617 -18.626 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.571 -17.505 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.009 -17.368 -3.122 1.00 0.00 H new ATOM 1465 N MET A 103 -4.241 -16.185 3.178 1.00 0.00 N ATOM 1466 CA MET A 103 -5.441 -16.248 4.003 1.00 0.00 C ATOM 1467 C MET A 103 -6.256 -14.964 3.876 1.00 0.00 C ATOM 1468 O MET A 103 -7.387 -14.884 4.357 1.00 0.00 O ATOM 1469 CB MET A 103 -5.068 -16.486 5.467 1.00 0.00 C ATOM 1470 CG MET A 103 -4.285 -17.769 5.694 1.00 0.00 C ATOM 1471 SD MET A 103 -3.175 -17.664 7.111 1.00 0.00 S ATOM 1472 CE MET A 103 -4.307 -17.121 8.389 1.00 0.00 C ATOM 0 H MET A 103 -3.451 -15.714 3.618 1.00 0.00 H new ATOM 0 HA MET A 103 -6.050 -17.081 3.651 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.478 -15.642 5.825 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.979 -16.515 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.982 -18.594 5.844 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.706 -18.000 4.800 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.834 -17.230 9.365 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.565 -16.075 8.226 1.00 0.00 H new ATOM 0 HE3 MET A 103 -5.212 -17.727 8.355 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.675 -13.962 3.226 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.347 -12.682 3.035 1.00 0.00 C ATOM 1484 C LEU A 104 -6.219 -12.209 1.591 1.00 0.00 C ATOM 1485 O LEU A 104 -5.113 -12.074 1.068 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.763 -11.631 3.981 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.237 -11.567 4.053 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.777 -10.156 4.387 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -3.708 -12.559 5.078 1.00 0.00 C ATOM 0 H LEU A 104 -4.740 -14.011 2.822 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.405 -12.818 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.134 -10.652 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.146 -11.820 4.984 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.835 -11.837 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.688 -10.130 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.124 -9.468 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.189 -9.858 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.620 -12.499 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.118 -12.321 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.006 -13.568 4.795 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.358 -11.957 0.953 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.372 -11.498 -0.431 1.00 0.00 C ATOM 1503 C GLN A 105 -8.269 -10.274 -0.589 1.00 0.00 C ATOM 1504 O GLN A 105 -9.247 -10.111 0.140 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.849 -12.618 -1.357 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.160 -13.949 -1.107 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.496 -14.987 -2.159 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -7.987 -14.657 -3.239 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.233 -16.251 -1.850 1.00 0.00 N ATOM 0 H GLN A 105 -8.282 -12.063 1.372 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.355 -11.218 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.924 -12.746 -1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.680 -12.319 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.081 -13.796 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.450 -14.325 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.826 -16.480 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.438 -16.993 -2.519 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.929 -9.416 -1.546 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.713 -8.219 -1.782 1.00 0.00 C ATOM 1520 C GLY A 106 -8.001 -7.227 -2.681 1.00 0.00 C ATOM 1521 O GLY A 106 -7.269 -7.618 -3.590 1.00 0.00 O ATOM 0 H GLY A 106 -7.124 -9.529 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.666 -8.496 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.939 -7.743 -0.828 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.216 -5.941 -2.427 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.590 -4.891 -3.220 1.00 0.00 C ATOM 1527 C ILE A 107 -6.869 -3.884 -2.329 1.00 0.00 C ATOM 1528 O ILE A 107 -7.082 -3.847 -1.117 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.624 -4.145 -4.085 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.696 -3.508 -3.199 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.256 -5.095 -5.091 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.661 -2.624 -3.959 1.00 0.00 C ATOM 0 H ILE A 107 -8.819 -5.601 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.866 -5.379 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.115 -3.353 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.257 -4.297 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.210 -2.918 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.984 -4.554 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.482 -5.507 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.755 -5.906 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.393 -2.206 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.112 -1.814 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.174 -3.214 -4.718 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.015 -3.069 -2.938 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.262 -2.061 -2.201 1.00 0.00 C ATOM 1546 C PHE A 108 -4.761 -0.964 -3.136 1.00 0.00 C ATOM 1547 O PHE A 108 -4.689 -1.136 -4.353 1.00 0.00 O ATOM 1548 CB PHE A 108 -4.080 -2.706 -1.474 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.545 -3.927 -2.166 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.617 -3.809 -3.188 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.971 -5.192 -1.796 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -2.122 -4.930 -3.827 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.479 -6.317 -2.430 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.555 -6.186 -3.448 1.00 0.00 C ATOM 0 H PHE A 108 -5.827 -3.087 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.930 -1.611 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.279 -1.973 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.388 -2.976 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.276 -2.829 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.696 -5.300 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.398 -4.824 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.817 -7.298 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.172 -7.064 -3.947 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.406 0.192 -2.555 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.905 1.340 -3.317 1.00 0.00 C ATOM 1566 C PRO A 109 -2.516 1.091 -3.895 1.00 0.00 C ATOM 1567 O PRO A 109 -1.572 0.793 -3.163 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.858 2.462 -2.278 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.715 1.762 -0.970 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.466 0.467 -1.110 1.00 0.00 C ATOM 0 HA PRO A 109 -4.535 1.564 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.020 3.135 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.765 3.066 -2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.666 1.581 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.123 2.364 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -4.003 -0.331 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.494 0.559 -0.761 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.398 1.214 -5.213 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.124 1.004 -5.890 1.00 0.00 C ATOM 1580 C LYS A 110 -0.036 1.888 -5.289 1.00 0.00 C ATOM 1581 O LYS A 110 1.133 1.505 -5.242 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.264 1.295 -7.386 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.328 0.456 -8.072 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.709 1.035 -9.424 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.837 0.475 -10.537 1.00 0.00 C ATOM 1586 NZ LYS A 110 -0.601 1.282 -10.733 1.00 0.00 N ATOM 0 H LYS A 110 -3.170 1.458 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.836 -0.039 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.502 2.350 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.305 1.119 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.962 -0.562 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.212 0.399 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.755 0.813 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.613 2.120 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.565 -0.554 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.406 0.450 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.572 1.642 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.600 2.082 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.234 0.686 -10.559 1.00 0.00 H new ATOM 1600 N SER A 111 -0.429 3.072 -4.830 1.00 0.00 N ATOM 1601 CA SER A 111 0.514 4.012 -4.234 1.00 0.00 C ATOM 1602 C SER A 111 1.184 3.403 -3.006 1.00 0.00 C ATOM 1603 O SER A 111 2.172 3.933 -2.497 1.00 0.00 O ATOM 1604 CB SER A 111 -0.201 5.308 -3.848 1.00 0.00 C ATOM 1605 OG SER A 111 0.702 6.400 -3.824 1.00 0.00 O ATOM 0 H SER A 111 -1.393 3.403 -4.859 1.00 0.00 H new ATOM 0 HA SER A 111 1.283 4.236 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.003 5.510 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.665 5.194 -2.868 1.00 0.00 H new ATOM 0 HG SER A 111 0.221 7.217 -3.576 1.00 0.00 H new ATOM 1611 N PHE A 112 0.640 2.286 -2.535 1.00 0.00 N ATOM 1612 CA PHE A 112 1.183 1.604 -1.366 1.00 0.00 C ATOM 1613 C PHE A 112 1.994 0.379 -1.779 1.00 0.00 C ATOM 1614 O PHE A 112 2.786 -0.146 -0.997 1.00 0.00 O ATOM 1615 CB PHE A 112 0.054 1.188 -0.421 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.429 2.302 0.463 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.839 3.508 -0.082 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.473 2.143 1.839 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.283 4.535 0.730 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.917 3.166 2.655 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.323 4.364 2.100 1.00 0.00 C ATOM 0 H PHE A 112 -0.177 1.834 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 112 1.844 2.297 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.783 0.814 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.399 0.363 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.811 3.647 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.157 1.209 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.599 5.471 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.947 3.029 3.726 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.671 5.165 2.736 1.00 0.00 H new ATOM 1631 N ILE A 113 1.788 -0.070 -3.013 1.00 0.00 N ATOM 1632 CA ILE A 113 2.500 -1.232 -3.530 1.00 0.00 C ATOM 1633 C ILE A 113 3.679 -0.813 -4.400 1.00 0.00 C ATOM 1634 O ILE A 113 3.530 -0.008 -5.321 1.00 0.00 O ATOM 1635 CB ILE A 113 1.568 -2.143 -4.351 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.382 -2.598 -3.499 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.336 -3.343 -4.885 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.790 -3.273 -2.208 1.00 0.00 C ATOM 0 H ILE A 113 1.135 0.353 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 113 2.869 -1.786 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 113 1.184 -1.575 -5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.241 -1.734 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.231 -3.286 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.664 -3.977 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.150 -2.999 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.746 -3.913 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.101 -3.569 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.388 -4.156 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.378 -2.581 -1.605 1.00 0.00 H new ATOM 1650 N HIS A 114 4.852 -1.364 -4.105 1.00 0.00 N ATOM 1651 CA HIS A 114 6.058 -1.049 -4.862 1.00 0.00 C ATOM 1652 C HIS A 114 6.420 -2.191 -5.806 1.00 0.00 C ATOM 1653 O HIS A 114 6.757 -3.290 -5.365 1.00 0.00 O ATOM 1654 CB HIS A 114 7.223 -0.767 -3.913 1.00 0.00 C ATOM 1655 CG HIS A 114 8.458 -0.282 -4.608 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.470 0.818 -5.439 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.727 -0.753 -4.590 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.693 1.002 -5.904 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.475 0.062 -5.403 1.00 0.00 N ATOM 0 H HIS A 114 4.993 -2.031 -3.347 1.00 0.00 H new ATOM 0 HA HIS A 114 5.861 -0.157 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.912 -0.022 -3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.460 -1.677 -3.361 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.084 -1.610 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.001 1.787 -6.579 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.472 -0.041 -5.590 1.00 0.00 H new ATOM 1668 N ILE A 115 6.348 -1.923 -7.106 1.00 0.00 N ATOM 1669 CA ILE A 115 6.669 -2.929 -8.111 1.00 0.00 C ATOM 1670 C ILE A 115 8.164 -3.230 -8.130 1.00 0.00 C ATOM 1671 O ILE A 115 8.981 -2.357 -8.425 1.00 0.00 O ATOM 1672 CB ILE A 115 6.230 -2.479 -9.517 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.735 -2.154 -9.529 1.00 0.00 C ATOM 1674 CG2 ILE A 115 6.551 -3.556 -10.542 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.859 -3.325 -9.142 1.00 0.00 C ATOM 0 H ILE A 115 6.070 -1.019 -7.487 1.00 0.00 H new ATOM 0 HA ILE A 115 6.122 -3.832 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 115 6.781 -1.577 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.546 -1.327 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.453 -1.814 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 115 6.235 -3.223 -11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.625 -3.744 -10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 115 6.024 -4.474 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.812 -3.022 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.019 -4.146 -9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.113 -3.652 -8.134 1.00 0.00 H new ATOM 1687 N LYS A 116 8.516 -4.472 -7.815 1.00 0.00 N ATOM 1688 CA LYS A 116 9.912 -4.891 -7.798 1.00 0.00 C ATOM 1689 C LYS A 116 10.429 -5.119 -9.215 1.00 0.00 C ATOM 1690 O LYS A 116 11.065 -6.133 -9.497 1.00 0.00 O ATOM 1691 CB LYS A 116 10.072 -6.171 -6.974 1.00 0.00 C ATOM 1692 CG LYS A 116 9.557 -6.046 -5.550 1.00 0.00 C ATOM 1693 CD LYS A 116 10.649 -5.580 -4.602 1.00 0.00 C ATOM 1694 CE LYS A 116 11.662 -6.682 -4.334 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.521 -6.373 -3.158 1.00 0.00 N ATOM 0 H LYS A 116 7.853 -5.206 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 116 10.498 -4.095 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.543 -6.983 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.126 -6.447 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.726 -5.342 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.170 -7.009 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.156 -4.714 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.203 -5.258 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.138 -7.623 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.289 -6.821 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.198 -7.149 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.040 -5.489 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.926 -6.266 -2.312 1.00 0.00 H new