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 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.131 F(o=-1.3,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.055) 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= -0.143 K(o=-0.14,f=-0.96) USER MOD Single : A 89 THR OG1 : rot -116:sc= 0.354 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.276 (180deg=-0.662) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= -0.0201 (180deg=-0.185) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 110 LYS NZ :NH3+ -149:sc= 4.8e-05 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.0055) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.592 -9.896 -11.943 1.00 0.00 N ATOM 782 CA ARG A 60 3.447 -8.801 -11.499 1.00 0.00 C ATOM 783 C ARG A 60 3.829 -8.971 -10.032 1.00 0.00 C ATOM 784 O ARG A 60 3.039 -9.466 -9.227 1.00 0.00 O ATOM 785 CB ARG A 60 2.741 -7.459 -11.702 1.00 0.00 C ATOM 786 CG ARG A 60 3.693 -6.304 -11.965 1.00 0.00 C ATOM 787 CD ARG A 60 2.939 -5.032 -12.323 1.00 0.00 C ATOM 788 NE ARG A 60 2.406 -5.076 -13.682 1.00 0.00 N ATOM 789 CZ ARG A 60 2.050 -3.995 -14.367 1.00 0.00 C ATOM 790 NH1 ARG A 60 2.171 -2.792 -13.823 1.00 0.00 N ATOM 791 NH2 ARG A 60 1.572 -4.116 -15.599 1.00 0.00 N ATOM 0 HA ARG A 60 4.357 -8.818 -12.098 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.048 -7.545 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.146 -7.234 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.307 -6.128 -11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.371 -6.567 -12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.121 -4.885 -11.617 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.605 -4.175 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 60 2.301 -5.987 -14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.538 -2.695 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.897 -1.964 -14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.478 -5.040 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.299 -3.285 -16.124 1.00 0.00 H new ATOM 805 N HIS A 61 5.045 -8.556 -9.690 1.00 0.00 N ATOM 806 CA HIS A 61 5.531 -8.662 -8.319 1.00 0.00 C ATOM 807 C HIS A 61 5.543 -7.296 -7.640 1.00 0.00 C ATOM 808 O HIS A 61 6.228 -6.376 -8.086 1.00 0.00 O ATOM 809 CB HIS A 61 6.935 -9.267 -8.299 1.00 0.00 C ATOM 810 CG HIS A 61 7.236 -10.043 -7.054 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.281 -9.736 -6.209 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.619 -11.119 -6.512 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.296 -10.590 -5.201 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.297 -11.440 -5.361 1.00 0.00 N ATOM 0 H HIS A 61 5.711 -8.144 -10.343 1.00 0.00 H new ATOM 0 HA HIS A 61 4.854 -9.316 -7.769 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.052 -9.922 -9.162 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.668 -8.467 -8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.755 -11.630 -6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.004 -10.593 -4.385 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.067 -12.209 -4.732 1.00 0.00 H new ATOM 823 N GLY A 62 4.780 -7.171 -6.558 1.00 0.00 N ATOM 824 CA GLY A 62 4.717 -5.914 -5.836 1.00 0.00 C ATOM 825 C GLY A 62 5.104 -6.063 -4.378 1.00 0.00 C ATOM 826 O GLY A 62 5.020 -7.154 -3.814 1.00 0.00 O ATOM 0 H GLY A 62 4.205 -7.918 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.379 -5.191 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.706 -5.511 -5.901 1.00 0.00 H new ATOM 830 N VAL A 63 5.530 -4.963 -3.765 1.00 0.00 N ATOM 831 CA VAL A 63 5.932 -4.976 -2.364 1.00 0.00 C ATOM 832 C VAL A 63 5.426 -3.736 -1.635 1.00 0.00 C ATOM 833 O VAL A 63 5.626 -2.611 -2.091 1.00 0.00 O ATOM 834 CB VAL A 63 7.464 -5.053 -2.220 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.890 -4.639 -0.819 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.960 -6.453 -2.545 1.00 0.00 C ATOM 0 H VAL A 63 5.605 -4.052 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 63 5.487 -5.864 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 63 7.914 -4.359 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.975 -4.700 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.568 -3.615 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.432 -5.305 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.044 -6.489 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.504 -7.169 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.688 -6.707 -3.570 1.00 0.00 H new ATOM 846 N ALA A 64 4.769 -3.951 -0.500 1.00 0.00 N ATOM 847 CA ALA A 64 4.236 -2.850 0.294 1.00 0.00 C ATOM 848 C ALA A 64 5.358 -1.976 0.844 1.00 0.00 C ATOM 849 O ALA A 64 6.323 -2.479 1.421 1.00 0.00 O ATOM 850 CB ALA A 64 3.377 -3.387 1.429 1.00 0.00 C ATOM 0 H ALA A 64 4.593 -4.877 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 64 3.616 -2.232 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.985 -2.555 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.548 -3.963 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.981 -4.029 2.070 1.00 0.00 H new ATOM 856 N ILE A 65 5.225 -0.667 0.662 1.00 0.00 N ATOM 857 CA ILE A 65 6.228 0.276 1.141 1.00 0.00 C ATOM 858 C ILE A 65 5.704 1.082 2.325 1.00 0.00 C ATOM 859 O ILE A 65 6.475 1.704 3.055 1.00 0.00 O ATOM 860 CB ILE A 65 6.665 1.247 0.028 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.443 1.915 -0.605 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.478 0.511 -1.027 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.794 2.943 -1.659 1.00 0.00 C ATOM 0 H ILE A 65 4.433 -0.235 0.186 1.00 0.00 H new ATOM 0 HA ILE A 65 7.089 -0.313 1.457 1.00 0.00 H new ATOM 0 HB ILE A 65 7.292 2.022 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.811 1.148 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.855 2.395 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.780 1.210 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.365 0.077 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.872 -0.282 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.879 3.375 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.400 3.731 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.356 2.464 -2.461 1.00 0.00 H new ATOM 875 N TYR A 66 4.388 1.063 2.510 1.00 0.00 N ATOM 876 CA TYR A 66 3.760 1.792 3.605 1.00 0.00 C ATOM 877 C TYR A 66 2.758 0.910 4.343 1.00 0.00 C ATOM 878 O TYR A 66 2.097 0.065 3.741 1.00 0.00 O ATOM 879 CB TYR A 66 3.061 3.046 3.077 1.00 0.00 C ATOM 880 CG TYR A 66 4.014 4.155 2.694 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.773 4.809 3.656 1.00 0.00 C ATOM 882 CD2 TYR A 66 4.156 4.549 1.369 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.644 5.824 3.311 1.00 0.00 C ATOM 884 CE2 TYR A 66 5.026 5.562 1.014 1.00 0.00 C ATOM 885 CZ TYR A 66 5.768 6.196 1.989 1.00 0.00 C ATOM 886 OH TYR A 66 6.636 7.206 1.641 1.00 0.00 O ATOM 0 H TYR A 66 3.736 0.551 1.916 1.00 0.00 H new ATOM 0 HA TYR A 66 4.541 2.088 4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.461 2.778 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.373 3.416 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.680 4.519 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.576 4.055 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.225 6.323 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.125 5.856 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 66 6.605 7.344 0.671 1.00 0.00 H new ATOM 896 N ASN A 67 2.652 1.113 5.652 1.00 0.00 N ATOM 897 CA ASN A 67 1.731 0.337 6.474 1.00 0.00 C ATOM 898 C ASN A 67 0.285 0.731 6.191 1.00 0.00 C ATOM 899 O ASN A 67 -0.193 1.762 6.667 1.00 0.00 O ATOM 900 CB ASN A 67 2.045 0.538 7.958 1.00 0.00 C ATOM 901 CG ASN A 67 3.332 -0.149 8.375 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.448 -1.432 8.054 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 4.210 0.468 8.978 1.00 0.00 N flip ATOM 0 H ASN A 67 3.193 1.808 6.166 1.00 0.00 H new ATOM 0 HA ASN A 67 1.858 -0.716 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.121 1.605 8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.220 0.152 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.077 1.454 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.070 -0.007 9.252 1.00 0.00 H new ATOM 910 N PHE A 68 -0.407 -0.095 5.415 1.00 0.00 N ATOM 911 CA PHE A 68 -1.799 0.167 5.068 1.00 0.00 C ATOM 912 C PHE A 68 -2.743 -0.587 6.000 1.00 0.00 C ATOM 913 O PHE A 68 -2.654 -1.807 6.135 1.00 0.00 O ATOM 914 CB PHE A 68 -2.069 -0.234 3.616 1.00 0.00 C ATOM 915 CG PHE A 68 -3.504 -0.068 3.205 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.459 -0.999 3.581 1.00 0.00 C ATOM 917 CD2 PHE A 68 -3.899 1.020 2.443 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.781 -0.849 3.205 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.219 1.176 2.064 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.161 0.240 2.445 1.00 0.00 C ATOM 0 H PHE A 68 -0.027 -0.952 5.014 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.981 1.236 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.439 0.366 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.777 -1.275 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.167 -1.852 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.167 1.755 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.515 -1.582 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.514 2.029 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.193 0.360 2.149 1.00 0.00 H new ATOM 930 N GLN A 69 -3.646 0.149 6.640 1.00 0.00 N ATOM 931 CA GLN A 69 -4.606 -0.449 7.560 1.00 0.00 C ATOM 932 C GLN A 69 -6.036 -0.124 7.143 1.00 0.00 C ATOM 933 O GLN A 69 -6.471 1.024 7.224 1.00 0.00 O ATOM 934 CB GLN A 69 -4.353 0.044 8.986 1.00 0.00 C ATOM 935 CG GLN A 69 -5.208 -0.653 10.031 1.00 0.00 C ATOM 936 CD GLN A 69 -4.735 -0.384 11.446 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.391 0.746 11.793 1.00 0.00 O ATOM 938 NE2 GLN A 69 -4.717 -1.423 12.273 1.00 0.00 N ATOM 0 H GLN A 69 -3.733 1.160 6.538 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.475 -1.531 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.301 -0.104 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.543 1.116 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.242 -0.323 9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.197 -1.727 9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.011 -2.342 11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.409 -1.302 13.238 1.00 0.00 H new ATOM 947 N GLY A 70 -6.763 -1.143 6.695 1.00 0.00 N ATOM 948 CA GLY A 70 -8.137 -0.944 6.271 1.00 0.00 C ATOM 949 C GLY A 70 -9.137 -1.371 7.327 1.00 0.00 C ATOM 950 O GLY A 70 -8.907 -1.185 8.522 1.00 0.00 O ATOM 0 H GLY A 70 -6.425 -2.102 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.292 0.108 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.317 -1.508 5.356 1.00 0.00 H new ATOM 954 N SER A 71 -10.252 -1.945 6.886 1.00 0.00 N ATOM 955 CA SER A 71 -11.294 -2.395 7.801 1.00 0.00 C ATOM 956 C SER A 71 -11.771 -3.797 7.434 1.00 0.00 C ATOM 957 O SER A 71 -11.940 -4.654 8.300 1.00 0.00 O ATOM 958 CB SER A 71 -12.474 -1.422 7.783 1.00 0.00 C ATOM 959 OG SER A 71 -12.224 -0.301 8.614 1.00 0.00 O ATOM 0 H SER A 71 -10.457 -2.109 5.900 1.00 0.00 H new ATOM 0 HA SER A 71 -10.872 -2.425 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.658 -1.088 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.376 -1.933 8.119 1.00 0.00 H new ATOM 0 HG SER A 71 -12.992 0.306 8.584 1.00 0.00 H new ATOM 965 N GLY A 72 -11.988 -4.022 6.142 1.00 0.00 N ATOM 966 CA GLY A 72 -12.444 -5.321 5.681 1.00 0.00 C ATOM 967 C GLY A 72 -12.721 -5.343 4.191 1.00 0.00 C ATOM 968 O GLY A 72 -12.975 -4.303 3.585 1.00 0.00 O ATOM 0 H GLY A 72 -11.856 -3.328 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.691 -6.072 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.350 -5.597 6.220 1.00 0.00 H new ATOM 972 N ALA A 73 -12.671 -6.532 3.599 1.00 0.00 N ATOM 973 CA ALA A 73 -12.919 -6.685 2.171 1.00 0.00 C ATOM 974 C ALA A 73 -14.019 -5.739 1.700 1.00 0.00 C ATOM 975 O ALA A 73 -14.918 -5.369 2.455 1.00 0.00 O ATOM 976 CB ALA A 73 -13.288 -8.126 1.851 1.00 0.00 C ATOM 0 H ALA A 73 -12.461 -7.403 4.086 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.003 -6.429 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.471 -8.226 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.470 -8.784 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.188 -8.401 2.400 1.00 0.00 H new ATOM 982 N PRO A 74 -13.947 -5.336 0.423 1.00 0.00 N ATOM 983 CA PRO A 74 -12.881 -5.770 -0.485 1.00 0.00 C ATOM 984 C PRO A 74 -11.528 -5.171 -0.118 1.00 0.00 C ATOM 985 O PRO A 74 -10.513 -5.478 -0.743 1.00 0.00 O ATOM 986 CB PRO A 74 -13.344 -5.250 -1.849 1.00 0.00 C ATOM 987 CG PRO A 74 -14.225 -4.091 -1.534 1.00 0.00 C ATOM 988 CD PRO A 74 -14.901 -4.427 -0.233 1.00 0.00 C ATOM 0 HA PRO A 74 -12.732 -6.849 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.497 -4.948 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.883 -6.018 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.645 -3.172 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.958 -3.931 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.084 -3.535 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.867 -4.906 -0.394 1.00 0.00 H new ATOM 996 N GLN A 75 -11.521 -4.315 0.899 1.00 0.00 N ATOM 997 CA GLN A 75 -10.291 -3.673 1.348 1.00 0.00 C ATOM 998 C GLN A 75 -9.405 -4.660 2.099 1.00 0.00 C ATOM 999 O GLN A 75 -9.831 -5.272 3.079 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.614 -2.475 2.244 1.00 0.00 C ATOM 1001 CG GLN A 75 -10.779 -1.171 1.480 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.191 -0.019 2.375 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -10.372 0.538 3.106 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.467 0.345 2.321 1.00 0.00 N ATOM 0 H GLN A 75 -12.352 -4.050 1.427 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.750 -3.325 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.531 -2.682 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.819 -2.357 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.840 -0.923 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.527 -1.304 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.111 -0.145 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.803 1.115 2.900 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.170 -4.812 1.633 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.222 -5.726 2.261 1.00 0.00 C ATOM 1015 C LEU A 76 -6.073 -4.959 2.908 1.00 0.00 C ATOM 1016 O LEU A 76 -5.571 -3.985 2.348 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.675 -6.712 1.228 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.421 -7.486 1.638 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.796 -8.734 2.421 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.595 -7.851 0.412 1.00 0.00 C ATOM 0 H LEU A 76 -7.802 -4.314 0.823 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.748 -6.279 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.459 -7.430 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.456 -6.164 0.312 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.817 -6.847 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.891 -9.272 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.345 -8.449 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.422 -9.377 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.707 -8.401 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.191 -8.472 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.295 -6.942 -0.109 1.00 0.00 H new ATOM 1032 N SER A 77 -5.660 -5.408 4.089 1.00 0.00 N ATOM 1033 CA SER A 77 -4.571 -4.763 4.813 1.00 0.00 C ATOM 1034 C SER A 77 -3.220 -5.146 4.216 1.00 0.00 C ATOM 1035 O SER A 77 -3.116 -6.104 3.449 1.00 0.00 O ATOM 1036 CB SER A 77 -4.615 -5.150 6.293 1.00 0.00 C ATOM 1037 OG SER A 77 -5.448 -4.268 7.026 1.00 0.00 O ATOM 0 H SER A 77 -6.063 -6.215 4.565 1.00 0.00 H new ATOM 0 HA SER A 77 -4.696 -3.684 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.983 -6.171 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.607 -5.132 6.707 1.00 0.00 H new ATOM 0 HG SER A 77 -5.461 -4.537 7.968 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.187 -4.390 4.573 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.841 -4.649 4.073 1.00 0.00 C ATOM 1045 C LEU A 78 0.211 -4.141 5.054 1.00 0.00 C ATOM 1046 O LEU A 78 -0.039 -3.210 5.818 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.646 -3.984 2.709 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.123 -4.786 1.497 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.778 -4.059 0.207 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.513 -6.180 1.506 1.00 0.00 C ATOM 0 H LEU A 78 -2.256 -3.593 5.206 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.721 -5.727 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.169 -3.028 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.414 -3.767 2.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.207 -4.886 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.125 -4.644 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.263 -3.083 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.302 -3.928 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.864 -6.736 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.574 -6.102 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.812 -6.702 2.415 1.00 0.00 H new ATOM 1062 N GLN A 79 1.387 -4.759 5.024 1.00 0.00 N ATOM 1063 CA GLN A 79 2.477 -4.367 5.910 1.00 0.00 C ATOM 1064 C GLN A 79 3.769 -4.161 5.125 1.00 0.00 C ATOM 1065 O GLN A 79 4.107 -4.955 4.247 1.00 0.00 O ATOM 1066 CB GLN A 79 2.688 -5.428 6.992 1.00 0.00 C ATOM 1067 CG GLN A 79 1.788 -5.247 8.204 1.00 0.00 C ATOM 1068 CD GLN A 79 2.194 -6.128 9.369 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.272 -7.351 9.240 1.00 0.00 O ATOM 1070 NE2 GLN A 79 2.456 -5.511 10.515 1.00 0.00 N ATOM 0 H GLN A 79 1.609 -5.532 4.397 1.00 0.00 H new ATOM 0 HA GLN A 79 2.206 -3.423 6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.511 -6.414 6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.729 -5.404 7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.812 -4.203 8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.759 -5.472 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.379 -4.496 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.735 -6.052 11.333 1.00 0.00 H new ATOM 1079 N ILE A 80 4.486 -3.090 5.447 1.00 0.00 N ATOM 1080 CA ILE A 80 5.740 -2.780 4.773 1.00 0.00 C ATOM 1081 C ILE A 80 6.631 -4.013 4.675 1.00 0.00 C ATOM 1082 O ILE A 80 6.822 -4.734 5.654 1.00 0.00 O ATOM 1083 CB ILE A 80 6.510 -1.661 5.501 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.669 -0.384 5.551 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.841 -1.400 4.813 1.00 0.00 C ATOM 1086 CD1 ILE A 80 6.239 0.679 6.465 1.00 0.00 C ATOM 0 H ILE A 80 4.220 -2.422 6.171 1.00 0.00 H new ATOM 0 HA ILE A 80 5.483 -2.440 3.770 1.00 0.00 H new ATOM 0 HB ILE A 80 6.710 -1.982 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.581 0.023 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.661 -0.635 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.373 -0.607 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.441 -2.310 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.664 -1.096 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.592 1.556 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.301 0.290 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.235 0.958 6.122 1.00 0.00 H new ATOM 1098 N GLY A 81 7.176 -4.250 3.485 1.00 0.00 N ATOM 1099 CA GLY A 81 8.042 -5.397 3.281 1.00 0.00 C ATOM 1100 C GLY A 81 7.268 -6.656 2.944 1.00 0.00 C ATOM 1101 O GLY A 81 7.804 -7.761 3.022 1.00 0.00 O ATOM 0 H GLY A 81 7.033 -3.668 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.744 -5.180 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.632 -5.567 4.181 1.00 0.00 H new ATOM 1105 N ASP A 82 6.004 -6.489 2.571 1.00 0.00 N ATOM 1106 CA ASP A 82 5.154 -7.621 2.222 1.00 0.00 C ATOM 1107 C ASP A 82 4.919 -7.680 0.716 1.00 0.00 C ATOM 1108 O ASP A 82 4.663 -6.659 0.077 1.00 0.00 O ATOM 1109 CB ASP A 82 3.816 -7.527 2.957 1.00 0.00 C ATOM 1110 CG ASP A 82 3.962 -7.722 4.453 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.054 -7.432 4.985 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.984 -8.165 5.092 1.00 0.00 O ATOM 0 H ASP A 82 5.545 -5.580 2.503 1.00 0.00 H new ATOM 0 HA ASP A 82 5.664 -8.535 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.366 -6.554 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.133 -8.279 2.561 1.00 0.00 H new ATOM 1117 N VAL A 83 5.008 -8.881 0.155 1.00 0.00 N ATOM 1118 CA VAL A 83 4.805 -9.074 -1.276 1.00 0.00 C ATOM 1119 C VAL A 83 3.448 -9.709 -1.558 1.00 0.00 C ATOM 1120 O VAL A 83 3.023 -10.627 -0.857 1.00 0.00 O ATOM 1121 CB VAL A 83 5.910 -9.956 -1.887 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.679 -10.145 -3.378 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.281 -9.351 -1.623 1.00 0.00 C ATOM 0 H VAL A 83 5.219 -9.736 0.670 1.00 0.00 H new ATOM 0 HA VAL A 83 4.844 -8.087 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 83 5.873 -10.936 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.470 -10.771 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.714 -10.626 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.688 -9.174 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.050 -9.987 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.333 -8.358 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.444 -9.274 -0.548 1.00 0.00 H new ATOM 1133 N VAL A 84 2.772 -9.215 -2.591 1.00 0.00 N ATOM 1134 CA VAL A 84 1.463 -9.736 -2.967 1.00 0.00 C ATOM 1135 C VAL A 84 1.409 -10.062 -4.456 1.00 0.00 C ATOM 1136 O VAL A 84 1.972 -9.341 -5.280 1.00 0.00 O ATOM 1137 CB VAL A 84 0.343 -8.734 -2.631 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.182 -8.598 -1.125 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.627 -7.383 -3.270 1.00 0.00 C ATOM 0 H VAL A 84 3.109 -8.455 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 84 1.308 -10.649 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.594 -9.113 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.614 -7.886 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.072 -9.568 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.116 -8.243 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.175 -6.687 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.574 -6.995 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.686 -7.498 -4.352 1.00 0.00 H new ATOM 1149 N ARG A 85 0.728 -11.152 -4.793 1.00 0.00 N ATOM 1150 CA ARG A 85 0.600 -11.574 -6.182 1.00 0.00 C ATOM 1151 C ARG A 85 -0.481 -10.770 -6.898 1.00 0.00 C ATOM 1152 O ARG A 85 -1.674 -10.997 -6.693 1.00 0.00 O ATOM 1153 CB ARG A 85 0.274 -13.067 -6.256 1.00 0.00 C ATOM 1154 CG ARG A 85 0.586 -13.692 -7.606 1.00 0.00 C ATOM 1155 CD ARG A 85 2.086 -13.807 -7.834 1.00 0.00 C ATOM 1156 NE ARG A 85 2.401 -14.637 -8.993 1.00 0.00 N ATOM 1157 CZ ARG A 85 2.209 -15.951 -9.030 1.00 0.00 C ATOM 1158 NH1 ARG A 85 1.703 -16.580 -7.979 1.00 0.00 N ATOM 1159 NH2 ARG A 85 2.521 -16.637 -10.122 1.00 0.00 N ATOM 0 H ARG A 85 0.256 -11.759 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 85 1.553 -11.392 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.836 -13.592 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.783 -13.211 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.131 -14.681 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.142 -13.090 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.509 -12.812 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.556 -14.230 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 85 2.790 -14.183 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.460 -16.055 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.557 -17.589 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.908 -16.155 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.373 -17.646 -10.150 1.00 0.00 H new ATOM 1173 N ILE A 86 -0.056 -9.831 -7.736 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.988 -8.994 -8.481 1.00 0.00 C ATOM 1175 C ILE A 86 -1.645 -9.777 -9.613 1.00 0.00 C ATOM 1176 O ILE A 86 -0.962 -10.354 -10.459 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.287 -7.755 -9.068 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.278 -6.882 -7.945 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.254 -6.958 -9.930 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.300 -5.874 -8.421 1.00 0.00 C ATOM 0 H ILE A 86 0.928 -9.631 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.753 -8.668 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 86 0.540 -8.087 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.542 -6.354 -7.458 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.736 -7.524 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.744 -6.085 -10.338 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.613 -7.583 -10.747 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.099 -6.633 -9.323 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.658 -5.290 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.139 -6.396 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.841 -5.208 -9.152 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.974 -9.789 -9.623 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.723 -10.500 -10.653 1.00 0.00 C ATOM 1194 C GLN A 87 -4.510 -9.527 -11.523 1.00 0.00 C ATOM 1195 O GLN A 87 -4.646 -9.728 -12.730 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.672 -11.515 -10.014 1.00 0.00 C ATOM 1197 CG GLN A 87 -4.003 -12.409 -8.982 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.827 -13.638 -8.653 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.474 -14.218 -9.525 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.808 -14.042 -7.388 1.00 0.00 N ATOM 0 H GLN A 87 -3.554 -9.315 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.010 -11.029 -11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.496 -10.981 -9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.104 -12.138 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.027 -12.720 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.829 -11.838 -8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.258 -13.531 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.344 -14.863 -7.107 1.00 0.00 H new ATOM 1209 N GLU A 88 -5.028 -8.471 -10.903 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.803 -7.467 -11.622 1.00 0.00 C ATOM 1211 C GLU A 88 -5.634 -6.091 -10.985 1.00 0.00 C ATOM 1212 O GLU A 88 -5.263 -5.975 -9.817 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.284 -7.853 -11.643 1.00 0.00 C ATOM 1214 CG GLU A 88 -8.156 -6.878 -12.417 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.360 -7.548 -13.049 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -10.045 -8.321 -12.347 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -9.617 -7.300 -14.246 1.00 0.00 O ATOM 0 H GLU A 88 -4.925 -8.289 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.432 -7.423 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.386 -8.846 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.648 -7.918 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.495 -6.088 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.560 -6.402 -13.195 1.00 0.00 H new ATOM 1224 N THR A 89 -5.910 -5.048 -11.763 1.00 0.00 N ATOM 1225 CA THR A 89 -5.788 -3.679 -11.277 1.00 0.00 C ATOM 1226 C THR A 89 -7.093 -2.912 -11.459 1.00 0.00 C ATOM 1227 O THR A 89 -7.628 -2.832 -12.565 1.00 0.00 O ATOM 1228 CB THR A 89 -4.657 -2.925 -12.002 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.418 -3.624 -11.839 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.520 -1.508 -11.465 1.00 0.00 C ATOM 0 H THR A 89 -6.219 -5.126 -12.732 1.00 0.00 H new ATOM 0 HA THR A 89 -5.552 -3.740 -10.215 1.00 0.00 H new ATOM 0 HB THR A 89 -4.907 -2.873 -13.062 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.793 -3.068 -11.329 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.715 -0.995 -11.992 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.455 -0.969 -11.618 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.291 -1.543 -10.400 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.599 -2.350 -10.367 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.843 -1.589 -10.406 1.00 0.00 C ATOM 1240 C CYS A 90 -8.581 -0.106 -10.166 1.00 0.00 C ATOM 1241 O CYS A 90 -8.449 0.335 -9.025 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.824 -2.122 -9.361 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.881 -3.463 -9.956 1.00 0.00 S ATOM 0 H CYS A 90 -7.168 -2.407 -9.444 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.281 -1.706 -11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.261 -2.474 -8.496 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.455 -1.302 -9.019 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.674 -3.847 -9.000 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.505 0.660 -11.250 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.257 2.085 -11.136 1.00 0.00 C ATOM 1251 C GLY A 91 -6.977 2.392 -10.383 1.00 0.00 C ATOM 1252 O GLY A 91 -5.904 1.910 -10.746 1.00 0.00 O ATOM 0 H GLY A 91 -8.611 0.319 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.202 2.522 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.097 2.557 -10.627 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.090 3.199 -9.333 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.933 3.570 -8.527 1.00 0.00 C ATOM 1258 C ASP A 92 -5.636 2.504 -7.478 1.00 0.00 C ATOM 1259 O ASP A 92 -4.860 2.732 -6.550 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.170 4.920 -7.848 1.00 0.00 C ATOM 1261 CG ASP A 92 -7.633 5.160 -7.532 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -8.406 5.439 -8.472 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -8.006 5.067 -6.343 1.00 0.00 O ATOM 0 H ASP A 92 -7.971 3.608 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.071 3.651 -9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.590 4.967 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.805 5.718 -8.495 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.258 1.341 -7.632 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.062 0.239 -6.696 1.00 0.00 C ATOM 1270 C TRP A 93 -5.690 -1.042 -7.435 1.00 0.00 C ATOM 1271 O TRP A 93 -6.017 -1.209 -8.610 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.327 0.016 -5.867 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.765 1.234 -5.111 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.002 2.476 -5.627 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.016 1.326 -3.705 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.385 3.335 -4.625 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.402 2.654 -3.437 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.954 0.416 -2.646 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.723 3.091 -2.154 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.272 0.851 -1.374 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.654 2.179 -1.137 1.00 0.00 C ATOM 0 H TRP A 93 -6.902 1.136 -8.396 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.241 0.503 -6.029 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.134 -0.303 -6.527 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.152 -0.797 -5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.903 2.744 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.619 4.320 -4.746 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.663 -0.609 -2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -9.016 4.114 -1.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -8.226 0.156 -0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.899 2.488 -0.131 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.006 -1.943 -6.739 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.588 -3.209 -7.330 1.00 0.00 C ATOM 1294 C TYR A 94 -5.543 -4.333 -6.941 1.00 0.00 C ATOM 1295 O TYR A 94 -6.534 -4.109 -6.246 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.165 -3.557 -6.889 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.095 -2.802 -7.646 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.963 -2.938 -9.022 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.218 -1.952 -6.984 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.986 -2.251 -9.717 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.239 -1.260 -7.670 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.127 -1.413 -9.036 1.00 0.00 C ATOM 1303 OH TYR A 94 0.846 -0.726 -9.725 1.00 0.00 O ATOM 0 H TYR A 94 -4.729 -1.820 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.608 -3.099 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.062 -3.347 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.004 -4.627 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.635 -3.592 -9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.303 -1.830 -5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.895 -2.369 -10.787 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.435 -0.603 -7.140 1.00 0.00 H new ATOM 0 HH TYR A 94 1.366 -0.179 -9.099 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.235 -5.545 -7.393 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.065 -6.705 -7.094 1.00 0.00 C ATOM 1315 C ARG A 95 -5.206 -7.949 -6.886 1.00 0.00 C ATOM 1316 O ARG A 95 -4.606 -8.466 -7.828 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.068 -6.948 -8.223 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.377 -7.562 -7.754 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.323 -9.081 -7.787 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.630 -9.611 -9.113 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.485 -10.888 -9.446 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.039 -11.762 -8.554 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -8.785 -11.294 -10.673 1.00 0.00 N ATOM 0 H ARG A 95 -4.417 -5.748 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.610 -6.502 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.278 -6.001 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.614 -7.604 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.595 -7.227 -6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.192 -7.212 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.331 -9.415 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.030 -9.485 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.975 -8.964 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.807 -11.454 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.928 -12.743 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.128 -10.625 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.673 -12.275 -10.927 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.150 -8.424 -5.646 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.362 -9.603 -5.337 1.00 0.00 C ATOM 1339 C GLY A 96 -4.577 -10.089 -3.918 1.00 0.00 C ATOM 1340 O GLY A 96 -5.642 -9.879 -3.337 1.00 0.00 O ATOM 0 H GLY A 96 -5.637 -8.013 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.619 -10.401 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.306 -9.379 -5.485 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.564 -10.742 -3.358 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.649 -11.263 -1.999 1.00 0.00 C ATOM 1346 C TYR A 97 -2.261 -11.405 -1.382 1.00 0.00 C ATOM 1347 O TYR A 97 -1.249 -11.134 -2.031 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.363 -12.616 -1.993 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.643 -13.684 -2.785 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.398 -14.153 -2.384 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.207 -14.223 -3.935 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.736 -15.128 -3.105 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.553 -15.199 -4.661 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.318 -15.648 -4.243 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.663 -16.620 -4.964 1.00 0.00 O ATOM 0 H TYR A 97 -2.675 -10.923 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.222 -10.555 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.476 -12.953 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.367 -12.489 -2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.940 -13.748 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.173 -13.873 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.769 -15.481 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.006 -15.608 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.209 -16.879 -5.735 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.220 -11.833 -0.125 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.956 -12.013 0.581 1.00 0.00 C ATOM 1367 C LEU A 98 -0.337 -13.367 0.252 1.00 0.00 C ATOM 1368 O LEU A 98 -0.898 -14.414 0.578 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.172 -11.891 2.091 1.00 0.00 C ATOM 1370 CG LEU A 98 -0.048 -11.215 2.876 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.367 -9.916 2.203 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.480 -10.959 4.313 1.00 0.00 C ATOM 0 H LEU A 98 -3.047 -12.062 0.426 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.270 -11.232 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.094 -11.335 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.323 -12.891 2.498 1.00 0.00 H new ATOM 0 HG LEU A 98 0.812 -11.884 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.168 -9.449 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.718 -10.126 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.487 -9.241 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.333 -10.477 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.356 -10.310 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.727 -11.906 4.793 1.00 0.00 H new ATOM 1384 N ILE A 99 0.824 -13.339 -0.394 1.00 0.00 N ATOM 1385 CA ILE A 99 1.522 -14.565 -0.764 1.00 0.00 C ATOM 1386 C ILE A 99 1.856 -15.400 0.468 1.00 0.00 C ATOM 1387 O ILE A 99 1.733 -16.625 0.453 1.00 0.00 O ATOM 1388 CB ILE A 99 2.821 -14.263 -1.533 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.534 -13.338 -2.718 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.469 -15.555 -2.007 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.769 -12.659 -3.268 1.00 0.00 C ATOM 0 H ILE A 99 1.301 -12.481 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 99 0.849 -15.128 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 99 3.515 -13.758 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.062 -13.915 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.818 -12.577 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.386 -15.325 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.704 -16.181 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.782 -16.086 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.490 -12.019 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.230 -12.054 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.478 -13.414 -3.608 1.00 0.00 H new ATOM 1403 N LYS A 100 2.279 -14.729 1.534 1.00 0.00 N ATOM 1404 CA LYS A 100 2.629 -15.408 2.776 1.00 0.00 C ATOM 1405 C LYS A 100 1.377 -15.768 3.570 1.00 0.00 C ATOM 1406 O LYS A 100 1.362 -16.750 4.313 1.00 0.00 O ATOM 1407 CB LYS A 100 3.546 -14.524 3.623 1.00 0.00 C ATOM 1408 CG LYS A 100 2.964 -13.153 3.923 1.00 0.00 C ATOM 1409 CD LYS A 100 3.487 -12.102 2.960 1.00 0.00 C ATOM 1410 CE LYS A 100 4.751 -11.442 3.489 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.945 -12.318 3.325 1.00 0.00 N ATOM 0 H LYS A 100 2.388 -13.715 1.563 1.00 0.00 H new ATOM 0 HA LYS A 100 3.155 -16.329 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.759 -15.032 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.497 -14.400 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.877 -13.197 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.213 -12.867 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.693 -12.562 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.721 -11.344 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.916 -10.501 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.620 -11.200 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.809 -11.755 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.918 -13.078 4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.943 -12.733 2.372 1.00 0.00 H new ATOM 1425 N HIS A 101 0.328 -14.968 3.408 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.929 -15.204 4.108 1.00 0.00 C ATOM 1427 C HIS A 101 -2.116 -15.053 3.161 1.00 0.00 C ATOM 1428 O HIS A 101 -2.924 -14.134 3.302 1.00 0.00 O ATOM 1429 CB HIS A 101 -1.073 -14.235 5.283 1.00 0.00 C ATOM 1430 CG HIS A 101 -0.085 -14.477 6.382 1.00 0.00 C ATOM 1431 ND1 HIS A 101 -0.209 -15.505 7.293 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.050 -13.817 6.714 1.00 0.00 C ATOM 1433 CE1 HIS A 101 0.806 -15.466 8.138 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.584 -14.452 7.808 1.00 0.00 N ATOM 0 H HIS A 101 0.324 -14.151 2.798 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.918 -16.226 4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.956 -13.214 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.082 -14.315 5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.459 -12.953 6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.971 -16.148 8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.443 -14.184 8.288 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.215 -15.959 2.195 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.302 -15.928 1.224 1.00 0.00 C ATOM 1445 C LYS A 102 -4.656 -15.872 1.925 1.00 0.00 C ATOM 1446 O LYS A 102 -5.637 -15.386 1.362 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.237 -17.158 0.315 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.971 -17.230 -0.521 1.00 0.00 C ATOM 1449 CD LYS A 102 -0.870 -17.989 0.200 1.00 0.00 C ATOM 1450 CE LYS A 102 0.098 -18.633 -0.782 1.00 0.00 C ATOM 1451 NZ LYS A 102 -0.516 -19.794 -1.485 1.00 0.00 N ATOM 0 H LYS A 102 -1.555 -16.725 2.063 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.189 -15.029 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.309 -18.057 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.101 -17.155 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.188 -17.718 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.628 -16.221 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.326 -17.308 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.312 -18.758 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.418 -17.892 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.991 -18.961 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.234 -20.392 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.078 -20.351 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.132 -19.451 -2.249 1.00 0.00 H new ATOM 1465 N MET A 103 -4.701 -16.369 3.156 1.00 0.00 N ATOM 1466 CA MET A 103 -5.934 -16.372 3.934 1.00 0.00 C ATOM 1467 C MET A 103 -6.681 -15.052 3.774 1.00 0.00 C ATOM 1468 O MET A 103 -7.896 -14.987 3.968 1.00 0.00 O ATOM 1469 CB MET A 103 -5.630 -16.623 5.413 1.00 0.00 C ATOM 1470 CG MET A 103 -5.420 -18.091 5.749 1.00 0.00 C ATOM 1471 SD MET A 103 -4.716 -18.333 7.391 1.00 0.00 S ATOM 1472 CE MET A 103 -2.974 -18.464 6.997 1.00 0.00 C ATOM 0 H MET A 103 -3.898 -16.775 3.636 1.00 0.00 H new ATOM 0 HA MET A 103 -6.568 -17.176 3.560 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.737 -16.063 5.692 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.451 -16.235 6.015 1.00 0.00 H new ATOM 0 HG2 MET A 103 -6.374 -18.614 5.686 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.761 -18.539 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.404 -18.617 7.914 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.815 -19.308 6.326 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.641 -17.547 6.511 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.949 -14.002 3.420 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.542 -12.683 3.234 1.00 0.00 C ATOM 1484 C LEU A 104 -6.390 -12.216 1.790 1.00 0.00 C ATOM 1485 O LEU A 104 -5.281 -12.168 1.257 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.892 -11.671 4.180 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.383 -11.811 4.378 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.755 -10.458 4.675 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.081 -12.798 5.497 1.00 0.00 C ATOM 0 H LEU A 104 -4.943 -14.039 3.256 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.605 -12.755 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.098 -10.669 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.375 -11.752 5.154 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.949 -12.195 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.680 -10.578 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.940 -9.780 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.193 -10.045 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.002 -12.885 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.528 -12.443 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.496 -13.773 5.244 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.510 -11.870 1.164 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.500 -11.406 -0.218 1.00 0.00 C ATOM 1503 C GLN A 105 -8.373 -10.166 -0.382 1.00 0.00 C ATOM 1504 O GLN A 105 -9.432 -10.054 0.234 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.986 -12.513 -1.155 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.358 -13.868 -0.871 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.705 -14.904 -1.923 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -7.406 -14.729 -3.105 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -8.338 -15.990 -1.498 1.00 0.00 N ATOM 0 H GLN A 105 -8.435 -11.902 1.592 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.475 -11.144 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.069 -12.599 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.767 -12.229 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.275 -13.758 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.691 -14.221 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.566 -16.093 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.597 -16.722 -2.160 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.921 -9.235 -1.217 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.673 -8.015 -1.446 1.00 0.00 C ATOM 1520 C GLY A 106 -7.950 -7.053 -2.368 1.00 0.00 C ATOM 1521 O GLY A 106 -7.248 -7.474 -3.288 1.00 0.00 O ATOM 0 H GLY A 106 -7.047 -9.304 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.643 -8.265 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.864 -7.525 -0.491 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.122 -5.759 -2.123 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.481 -4.735 -2.938 1.00 0.00 C ATOM 1527 C ILE A 107 -6.686 -3.762 -2.075 1.00 0.00 C ATOM 1528 O ILE A 107 -6.819 -3.750 -0.851 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.514 -3.945 -3.764 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.606 -3.382 -2.852 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.121 -4.832 -4.841 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.502 -2.373 -3.535 1.00 0.00 C ATOM 0 H ILE A 107 -8.700 -5.394 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.803 -5.252 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.008 -3.111 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.217 -4.204 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.139 -2.914 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.849 -4.260 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.334 -5.189 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.616 -5.684 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.252 -2.016 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.903 -1.532 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.997 -2.843 -4.385 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.859 -2.946 -2.720 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.042 -1.968 -2.011 1.00 0.00 C ATOM 1546 C PHE A 108 -4.575 -0.864 -2.955 1.00 0.00 C ATOM 1547 O PHE A 108 -4.576 -1.015 -4.177 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.833 -2.651 -1.369 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.362 -3.865 -2.119 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.925 -5.107 -1.876 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.357 -3.763 -3.066 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.493 -6.225 -2.564 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -1.920 -4.877 -3.757 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.490 -6.110 -3.506 1.00 0.00 C ATOM 0 H PHE A 108 -5.737 -2.943 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.654 -1.519 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.014 -1.935 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.088 -2.940 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.710 -5.203 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.909 -2.801 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.940 -7.188 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.134 -4.784 -4.492 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.152 -6.982 -4.045 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.165 0.275 -2.376 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.688 1.427 -3.146 1.00 0.00 C ATOM 1566 C PRO A 109 -2.339 1.164 -3.807 1.00 0.00 C ATOM 1567 O PRO A 109 -1.411 0.662 -3.171 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.560 2.530 -2.092 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.355 1.804 -0.807 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.137 0.525 -0.925 1.00 0.00 C ATOM 0 HA PRO A 109 -4.362 1.677 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.722 3.192 -2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.455 3.151 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.298 1.601 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.704 2.399 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.656 -0.291 -0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.142 0.629 -0.516 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.236 1.505 -5.087 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.000 1.307 -5.835 1.00 0.00 C ATOM 1580 C LYS A 110 0.130 2.150 -5.252 1.00 0.00 C ATOM 1581 O LYS A 110 1.300 1.780 -5.337 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.209 1.665 -7.308 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.412 0.982 -7.935 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.968 1.788 -9.097 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.056 1.717 -10.312 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.626 2.446 -11.478 1.00 0.00 N ATOM 0 H LYS A 110 -2.994 1.920 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.722 0.256 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.327 2.745 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.315 1.395 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.127 -0.011 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.188 0.845 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.957 1.413 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.092 2.828 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.083 2.139 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.891 0.674 -10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.319 1.986 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.664 2.431 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.293 3.431 -11.468 1.00 0.00 H new ATOM 1600 N SER A 111 -0.230 3.284 -4.658 1.00 0.00 N ATOM 1601 CA SER A 111 0.755 4.180 -4.062 1.00 0.00 C ATOM 1602 C SER A 111 1.497 3.490 -2.921 1.00 0.00 C ATOM 1603 O SER A 111 2.565 3.935 -2.502 1.00 0.00 O ATOM 1604 CB SER A 111 0.074 5.450 -3.549 1.00 0.00 C ATOM 1605 OG SER A 111 -0.071 6.405 -4.585 1.00 0.00 O ATOM 0 H SER A 111 -1.195 3.604 -4.577 1.00 0.00 H new ATOM 0 HA SER A 111 1.478 4.449 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.905 5.201 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.660 5.877 -2.736 1.00 0.00 H new ATOM 0 HG SER A 111 -0.510 7.207 -4.232 1.00 0.00 H new ATOM 1611 N PHE A 112 0.922 2.401 -2.423 1.00 0.00 N ATOM 1612 CA PHE A 112 1.527 1.649 -1.330 1.00 0.00 C ATOM 1613 C PHE A 112 2.243 0.408 -1.855 1.00 0.00 C ATOM 1614 O PHE A 112 3.014 -0.228 -1.135 1.00 0.00 O ATOM 1615 CB PHE A 112 0.461 1.244 -0.310 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.069 2.397 0.493 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.625 3.499 -0.136 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.012 2.379 1.877 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.113 4.561 0.600 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.498 3.439 2.619 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.051 4.531 1.980 1.00 0.00 C ATOM 0 H PHE A 112 0.038 2.019 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 112 2.261 2.291 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.367 0.765 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.882 0.502 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.677 3.528 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.417 1.526 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.543 5.415 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.445 3.413 3.697 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.434 5.359 2.557 1.00 0.00 H new ATOM 1631 N ILE A 113 1.982 0.068 -3.112 1.00 0.00 N ATOM 1632 CA ILE A 113 2.601 -1.096 -3.734 1.00 0.00 C ATOM 1633 C ILE A 113 3.790 -0.690 -4.599 1.00 0.00 C ATOM 1634 O ILE A 113 3.676 0.184 -5.459 1.00 0.00 O ATOM 1635 CB ILE A 113 1.593 -1.875 -4.599 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.428 -2.372 -3.740 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.281 -3.041 -5.293 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.863 -3.216 -2.562 1.00 0.00 C ATOM 0 H ILE A 113 1.345 0.582 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 113 2.946 -1.740 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 113 1.197 -1.205 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.135 -1.513 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.250 -2.955 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.556 -3.582 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.080 -2.664 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.701 -3.713 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.014 -3.533 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.400 -4.094 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.517 -2.630 -1.916 1.00 0.00 H new ATOM 1650 N HIS A 114 4.930 -1.332 -4.367 1.00 0.00 N ATOM 1651 CA HIS A 114 6.140 -1.041 -5.127 1.00 0.00 C ATOM 1652 C HIS A 114 6.393 -2.115 -6.180 1.00 0.00 C ATOM 1653 O HIS A 114 6.942 -3.176 -5.879 1.00 0.00 O ATOM 1654 CB HIS A 114 7.344 -0.935 -4.190 1.00 0.00 C ATOM 1655 CG HIS A 114 8.593 -0.464 -4.869 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.699 0.770 -5.476 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.793 -1.067 -5.033 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.910 0.904 -5.986 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.594 -0.197 -5.730 1.00 0.00 N ATOM 0 H HIS A 114 5.041 -2.057 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 114 5.999 -0.087 -5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.102 -0.250 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.531 -1.910 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.069 -2.050 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.278 1.767 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.560 -0.372 -6.006 1.00 0.00 H new ATOM 1668 N ILE A 115 5.989 -1.834 -7.414 1.00 0.00 N ATOM 1669 CA ILE A 115 6.172 -2.777 -8.511 1.00 0.00 C ATOM 1670 C ILE A 115 7.651 -2.987 -8.814 1.00 0.00 C ATOM 1671 O ILE A 115 8.285 -2.162 -9.473 1.00 0.00 O ATOM 1672 CB ILE A 115 5.460 -2.298 -9.790 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.976 -2.050 -9.511 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.632 -3.318 -10.905 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.196 -3.313 -9.225 1.00 0.00 C ATOM 0 H ILE A 115 5.533 -0.961 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 115 5.731 -3.722 -8.192 1.00 0.00 H new ATOM 0 HB ILE A 115 5.912 -1.359 -10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.882 -1.374 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.533 -1.545 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.123 -2.965 -11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.693 -3.450 -11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.203 -4.271 -10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.152 -3.061 -9.036 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.259 -3.982 -10.084 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.614 -3.808 -8.348 1.00 0.00 H new ATOM 1687 N LYS A 116 8.197 -4.097 -8.330 1.00 0.00 N ATOM 1688 CA LYS A 116 9.602 -4.419 -8.551 1.00 0.00 C ATOM 1689 C LYS A 116 9.778 -5.244 -9.822 1.00 0.00 C ATOM 1690 O LYS A 116 9.095 -6.248 -10.019 1.00 0.00 O ATOM 1691 CB LYS A 116 10.166 -5.184 -7.351 1.00 0.00 C ATOM 1692 CG LYS A 116 9.985 -4.460 -6.028 1.00 0.00 C ATOM 1693 CD LYS A 116 10.404 -5.330 -4.855 1.00 0.00 C ATOM 1694 CE LYS A 116 11.918 -5.416 -4.737 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.494 -4.202 -4.095 1.00 0.00 N ATOM 0 H LYS A 116 7.687 -4.790 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 116 10.149 -3.484 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.681 -6.158 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.228 -5.366 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.574 -3.543 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.941 -4.168 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.989 -4.924 -3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.990 -6.331 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.187 -6.297 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.353 -5.544 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.528 -4.299 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.259 -3.364 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.098 -4.094 -3.139 1.00 0.00 H new