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 Single : A 61 HIS : no HD1:sc= -4.59! C(o=-4.6!,f=-6.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.684 K(o=-0.68,f=-6.8!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0042) 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 K(o=0,f=-0.9) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= -0.269 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -127:sc= -0.429 (180deg=-1.48) USER MOD Single : A 101 HIS : no HD1:sc= -1.85! K(o=-1.9!,f=-1.2) USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.0225 (180deg=-0.214) USER MOD Single : A 103 MET CE :methyl 172:sc= -3.47! (180deg=-4.23!) USER MOD Single : A 105 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.62) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.848 -9.835 -11.741 1.00 0.00 N ATOM 782 CA ARG A 60 3.769 -8.787 -11.316 1.00 0.00 C ATOM 783 C ARG A 60 4.133 -8.947 -9.843 1.00 0.00 C ATOM 784 O ARG A 60 3.343 -9.461 -9.050 1.00 0.00 O ATOM 785 CB ARG A 60 3.150 -7.408 -11.553 1.00 0.00 C ATOM 786 CG ARG A 60 4.172 -6.285 -11.616 1.00 0.00 C ATOM 787 CD ARG A 60 3.690 -5.142 -12.497 1.00 0.00 C ATOM 788 NE ARG A 60 3.429 -5.579 -13.866 1.00 0.00 N ATOM 789 CZ ARG A 60 3.363 -4.750 -14.902 1.00 0.00 C ATOM 790 NH1 ARG A 60 3.538 -3.448 -14.725 1.00 0.00 N ATOM 791 NH2 ARG A 60 3.123 -5.223 -16.118 1.00 0.00 N ATOM 0 HA ARG A 60 4.679 -8.876 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.586 -7.428 -12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.439 -7.196 -10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.368 -5.913 -10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.115 -6.671 -12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.781 -4.716 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.439 -4.350 -12.506 1.00 0.00 H new ATOM 0 HE ARG A 60 3.290 -6.575 -14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.724 -3.081 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.487 -2.814 -15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.989 -6.224 -16.258 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.073 -4.585 -16.912 1.00 0.00 H new ATOM 805 N HIS A 61 5.333 -8.504 -9.484 1.00 0.00 N ATOM 806 CA HIS A 61 5.802 -8.598 -8.106 1.00 0.00 C ATOM 807 C HIS A 61 5.818 -7.224 -7.442 1.00 0.00 C ATOM 808 O HIS A 61 6.472 -6.300 -7.923 1.00 0.00 O ATOM 809 CB HIS A 61 7.200 -9.215 -8.061 1.00 0.00 C ATOM 810 CG HIS A 61 7.473 -9.991 -6.809 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.450 -9.638 -5.903 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.889 -11.108 -6.315 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.456 -10.504 -4.905 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.518 -11.406 -5.131 1.00 0.00 N ATOM 0 H HIS A 61 5.999 -8.076 -10.128 1.00 0.00 H new ATOM 0 HA HIS A 61 5.112 -9.239 -7.557 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.326 -9.873 -8.921 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.941 -8.422 -8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.080 -11.661 -6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.116 -10.479 -4.050 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.297 -12.196 -4.525 1.00 0.00 H new ATOM 823 N GLY A 62 5.093 -7.098 -6.335 1.00 0.00 N ATOM 824 CA GLY A 62 5.038 -5.834 -5.625 1.00 0.00 C ATOM 825 C GLY A 62 5.409 -5.974 -4.161 1.00 0.00 C ATOM 826 O GLY A 62 5.451 -7.083 -3.628 1.00 0.00 O ATOM 0 H GLY A 62 4.543 -7.849 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.714 -5.124 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.033 -5.420 -5.704 1.00 0.00 H new ATOM 830 N VAL A 63 5.679 -4.847 -3.511 1.00 0.00 N ATOM 831 CA VAL A 63 6.049 -4.849 -2.100 1.00 0.00 C ATOM 832 C VAL A 63 5.478 -3.632 -1.381 1.00 0.00 C ATOM 833 O VAL A 63 5.673 -2.496 -1.811 1.00 0.00 O ATOM 834 CB VAL A 63 7.579 -4.867 -1.921 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.957 -4.423 -0.516 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.134 -6.251 -2.220 1.00 0.00 C ATOM 0 H VAL A 63 5.649 -3.921 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 63 5.629 -5.755 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 63 8.019 -4.164 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.041 -4.442 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.593 -3.410 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.508 -5.098 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.216 -6.245 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.689 -6.976 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.895 -6.525 -3.248 1.00 0.00 H new ATOM 846 N ALA A 64 4.772 -3.879 -0.282 1.00 0.00 N ATOM 847 CA ALA A 64 4.174 -2.803 0.499 1.00 0.00 C ATOM 848 C ALA A 64 5.247 -1.921 1.129 1.00 0.00 C ATOM 849 O ALA A 64 6.145 -2.412 1.812 1.00 0.00 O ATOM 850 CB ALA A 64 3.261 -3.375 1.573 1.00 0.00 C ATOM 0 H ALA A 64 4.600 -4.814 0.087 1.00 0.00 H new ATOM 0 HA ALA A 64 3.581 -2.184 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.821 -2.560 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.468 -3.957 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.839 -4.018 2.237 1.00 0.00 H new ATOM 856 N ILE A 65 5.147 -0.617 0.894 1.00 0.00 N ATOM 857 CA ILE A 65 6.109 0.333 1.438 1.00 0.00 C ATOM 858 C ILE A 65 5.530 1.074 2.640 1.00 0.00 C ATOM 859 O ILE A 65 6.266 1.530 3.515 1.00 0.00 O ATOM 860 CB ILE A 65 6.547 1.361 0.379 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.324 2.032 -0.249 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.397 0.690 -0.690 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.673 3.074 -1.289 1.00 0.00 C ATOM 0 H ILE A 65 4.409 -0.194 0.330 1.00 0.00 H new ATOM 0 HA ILE A 65 6.978 -0.244 1.753 1.00 0.00 H new ATOM 0 HB ILE A 65 7.149 2.128 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.696 1.268 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.732 2.500 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.699 1.429 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.284 0.255 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.818 -0.095 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.757 3.508 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.275 3.858 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.238 2.608 -2.096 1.00 0.00 H new ATOM 875 N TYR A 66 4.207 1.188 2.676 1.00 0.00 N ATOM 876 CA TYR A 66 3.529 1.873 3.769 1.00 0.00 C ATOM 877 C TYR A 66 2.481 0.970 4.412 1.00 0.00 C ATOM 878 O TYR A 66 1.678 0.343 3.722 1.00 0.00 O ATOM 879 CB TYR A 66 2.870 3.158 3.264 1.00 0.00 C ATOM 880 CG TYR A 66 3.858 4.242 2.899 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.586 4.904 3.880 1.00 0.00 C ATOM 882 CD2 TYR A 66 4.064 4.605 1.574 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.490 5.896 3.552 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.966 5.595 1.236 1.00 0.00 C ATOM 885 CZ TYR A 66 5.676 6.238 2.229 1.00 0.00 C ATOM 886 OH TYR A 66 6.576 7.225 1.898 1.00 0.00 O ATOM 0 H TYR A 66 3.583 0.815 1.961 1.00 0.00 H new ATOM 0 HA TYR A 66 4.275 2.127 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.260 2.925 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.195 3.536 4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.443 4.638 4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.509 4.104 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.048 6.401 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.115 5.864 0.201 1.00 0.00 H new ATOM 0 HH TYR A 66 6.589 7.343 0.925 1.00 0.00 H new ATOM 896 N ASN A 67 2.496 0.909 5.740 1.00 0.00 N ATOM 897 CA ASN A 67 1.547 0.083 6.477 1.00 0.00 C ATOM 898 C ASN A 67 0.112 0.507 6.183 1.00 0.00 C ATOM 899 O ASN A 67 -0.327 1.581 6.595 1.00 0.00 O ATOM 900 CB ASN A 67 1.820 0.175 7.980 1.00 0.00 C ATOM 901 CG ASN A 67 2.820 -0.863 8.451 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.766 -2.023 8.044 1.00 0.00 O ATOM 903 ND2 ASN A 67 3.740 -0.448 9.314 1.00 0.00 N ATOM 0 H ASN A 67 3.154 1.421 6.327 1.00 0.00 H new ATOM 0 HA ASN A 67 1.675 -0.950 6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.195 1.171 8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.885 0.048 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.440 -1.101 9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.747 0.524 9.624 1.00 0.00 H new ATOM 910 N PHE A 68 -0.616 -0.344 5.467 1.00 0.00 N ATOM 911 CA PHE A 68 -2.002 -0.057 5.116 1.00 0.00 C ATOM 912 C PHE A 68 -2.961 -0.740 6.087 1.00 0.00 C ATOM 913 O PHE A 68 -2.829 -1.930 6.372 1.00 0.00 O ATOM 914 CB PHE A 68 -2.294 -0.516 3.686 1.00 0.00 C ATOM 915 CG PHE A 68 -3.714 -0.277 3.258 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.716 -1.169 3.603 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.046 0.841 2.509 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.023 -0.951 3.210 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.351 1.064 2.114 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.341 0.167 2.464 1.00 0.00 C ATOM 0 H PHE A 68 -0.269 -1.238 5.119 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.152 1.021 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.624 0.005 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.072 -1.580 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.473 -2.045 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.276 1.546 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.795 -1.654 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.597 1.940 1.532 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.361 0.339 2.155 1.00 0.00 H new ATOM 930 N GLN A 69 -3.925 0.023 6.592 1.00 0.00 N ATOM 931 CA GLN A 69 -4.905 -0.508 7.532 1.00 0.00 C ATOM 932 C GLN A 69 -6.326 -0.273 7.029 1.00 0.00 C ATOM 933 O GLN A 69 -6.821 0.853 7.043 1.00 0.00 O ATOM 934 CB GLN A 69 -4.726 0.138 8.908 1.00 0.00 C ATOM 935 CG GLN A 69 -4.904 1.647 8.899 1.00 0.00 C ATOM 936 CD GLN A 69 -4.197 2.325 10.056 1.00 0.00 C ATOM 937 OE1 GLN A 69 -3.007 2.631 9.978 1.00 0.00 O ATOM 938 NE2 GLN A 69 -4.927 2.563 11.139 1.00 0.00 N ATOM 0 H GLN A 69 -4.048 1.010 6.366 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.742 -1.582 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.443 -0.300 9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.731 -0.100 9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.523 2.048 7.960 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.967 1.884 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.910 2.293 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.505 3.016 11.949 1.00 0.00 H new ATOM 947 N GLY A 70 -6.976 -1.344 6.584 1.00 0.00 N ATOM 948 CA GLY A 70 -8.332 -1.233 6.081 1.00 0.00 C ATOM 949 C GLY A 70 -9.368 -1.620 7.118 1.00 0.00 C ATOM 950 O GLY A 70 -9.079 -1.648 8.314 1.00 0.00 O ATOM 0 H GLY A 70 -6.587 -2.287 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.513 -0.209 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.444 -1.870 5.204 1.00 0.00 H new ATOM 954 N SER A 71 -10.580 -1.918 6.659 1.00 0.00 N ATOM 955 CA SER A 71 -11.664 -2.300 7.556 1.00 0.00 C ATOM 956 C SER A 71 -12.204 -3.681 7.198 1.00 0.00 C ATOM 957 O SER A 71 -12.362 -4.542 8.063 1.00 0.00 O ATOM 958 CB SER A 71 -12.791 -1.268 7.496 1.00 0.00 C ATOM 959 OG SER A 71 -12.412 -0.060 8.133 1.00 0.00 O ATOM 0 H SER A 71 -10.835 -1.902 5.672 1.00 0.00 H new ATOM 0 HA SER A 71 -11.268 -2.336 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.050 -1.068 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.683 -1.671 7.975 1.00 0.00 H new ATOM 0 HG SER A 71 -13.149 0.583 8.079 1.00 0.00 H new ATOM 965 N GLY A 72 -12.486 -3.885 5.915 1.00 0.00 N ATOM 966 CA GLY A 72 -13.006 -5.163 5.463 1.00 0.00 C ATOM 967 C GLY A 72 -13.117 -5.243 3.954 1.00 0.00 C ATOM 968 O GLY A 72 -13.262 -4.223 3.281 1.00 0.00 O ATOM 0 H GLY A 72 -12.364 -3.188 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.356 -5.962 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.988 -5.329 5.906 1.00 0.00 H new ATOM 972 N ALA A 73 -13.046 -6.458 3.420 1.00 0.00 N ATOM 973 CA ALA A 73 -13.139 -6.667 1.981 1.00 0.00 C ATOM 974 C ALA A 73 -14.164 -5.727 1.355 1.00 0.00 C ATOM 975 O ALA A 73 -15.098 -5.264 2.009 1.00 0.00 O ATOM 976 CB ALA A 73 -13.497 -8.115 1.680 1.00 0.00 C ATOM 0 H ALA A 73 -12.924 -7.313 3.963 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.166 -6.446 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.563 -8.257 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.728 -8.772 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.457 -8.355 2.137 1.00 0.00 H new ATOM 982 N PRO A 74 -13.986 -5.435 0.058 1.00 0.00 N ATOM 983 CA PRO A 74 -12.877 -5.980 -0.731 1.00 0.00 C ATOM 984 C PRO A 74 -11.530 -5.399 -0.315 1.00 0.00 C ATOM 985 O PRO A 74 -10.488 -5.780 -0.848 1.00 0.00 O ATOM 986 CB PRO A 74 -13.221 -5.561 -2.162 1.00 0.00 C ATOM 987 CG PRO A 74 -14.074 -4.350 -2.008 1.00 0.00 C ATOM 988 CD PRO A 74 -14.854 -4.552 -0.738 1.00 0.00 C ATOM 0 HA PRO A 74 -12.774 -7.057 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.322 -5.341 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.751 -6.354 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.465 -3.448 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.742 -4.232 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.043 -3.607 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.824 -5.010 -0.931 1.00 0.00 H new ATOM 996 N GLN A 75 -11.558 -4.475 0.641 1.00 0.00 N ATOM 997 CA GLN A 75 -10.338 -3.842 1.127 1.00 0.00 C ATOM 998 C GLN A 75 -9.500 -4.826 1.937 1.00 0.00 C ATOM 999 O GLN A 75 -9.967 -5.384 2.931 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.679 -2.620 1.982 1.00 0.00 C ATOM 1001 CG GLN A 75 -10.832 -1.339 1.177 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.445 -0.213 1.986 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.045 0.040 3.122 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.422 0.472 1.402 1.00 0.00 N ATOM 0 H GLN A 75 -12.412 -4.149 1.094 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.755 -3.522 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.605 -2.812 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.897 -2.479 2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.855 -1.027 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.454 -1.535 0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.722 0.228 0.458 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.872 1.242 1.897 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.261 -5.036 1.505 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.357 -5.953 2.190 1.00 0.00 C ATOM 1015 C LEU A 76 -6.242 -5.191 2.899 1.00 0.00 C ATOM 1016 O LEU A 76 -5.741 -4.189 2.390 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.758 -6.948 1.194 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.591 -7.791 1.709 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.103 -9.016 2.450 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.682 -8.202 0.559 1.00 0.00 C ATOM 0 H LEU A 76 -7.860 -4.584 0.684 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.931 -6.499 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.549 -7.621 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.422 -6.396 0.316 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.011 -7.186 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.258 -9.604 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.712 -8.701 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.707 -9.623 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.857 -8.801 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.251 -8.788 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.287 -7.311 0.071 1.00 0.00 H new ATOM 1032 N SER A 77 -5.858 -5.674 4.076 1.00 0.00 N ATOM 1033 CA SER A 77 -4.802 -5.038 4.856 1.00 0.00 C ATOM 1034 C SER A 77 -3.426 -5.428 4.327 1.00 0.00 C ATOM 1035 O SER A 77 -3.276 -6.436 3.635 1.00 0.00 O ATOM 1036 CB SER A 77 -4.924 -5.427 6.330 1.00 0.00 C ATOM 1037 OG SER A 77 -4.582 -6.788 6.529 1.00 0.00 O ATOM 0 H SER A 77 -6.262 -6.504 4.511 1.00 0.00 H new ATOM 0 HA SER A 77 -4.915 -3.958 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.272 -4.793 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.944 -5.251 6.672 1.00 0.00 H new ATOM 0 HG SER A 77 -4.666 -7.011 7.480 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.422 -4.622 4.657 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.056 -4.882 4.217 1.00 0.00 C ATOM 1045 C LEU A 78 -0.048 -4.385 5.248 1.00 0.00 C ATOM 1046 O LEU A 78 -0.348 -3.497 6.045 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.798 -4.208 2.868 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.261 -4.980 1.632 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.989 -4.178 0.369 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.577 -6.337 1.563 1.00 0.00 C ATOM 0 H LEU A 78 -2.529 -3.783 5.228 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.934 -5.960 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.291 -3.236 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.272 -4.023 2.776 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.336 -5.142 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.325 -4.743 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.527 -3.231 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.080 -3.984 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.919 -6.872 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.503 -6.198 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.824 -6.915 2.454 1.00 0.00 H new ATOM 1062 N GLN A 79 1.149 -4.962 5.224 1.00 0.00 N ATOM 1063 CA GLN A 79 2.202 -4.577 6.156 1.00 0.00 C ATOM 1064 C GLN A 79 3.506 -4.295 5.417 1.00 0.00 C ATOM 1065 O GLN A 79 3.884 -5.029 4.503 1.00 0.00 O ATOM 1066 CB GLN A 79 2.418 -5.676 7.197 1.00 0.00 C ATOM 1067 CG GLN A 79 1.471 -5.586 8.382 1.00 0.00 C ATOM 1068 CD GLN A 79 1.797 -6.594 9.467 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.712 -6.390 10.265 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.046 -7.689 9.503 1.00 0.00 N ATOM 0 H GLN A 79 1.414 -5.698 4.569 1.00 0.00 H new ATOM 0 HA GLN A 79 1.889 -3.664 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.296 -6.648 6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.445 -5.626 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.513 -4.581 8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.449 -5.745 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.298 -7.817 8.822 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.217 -8.402 10.212 1.00 0.00 H new ATOM 1079 N ILE A 80 4.190 -3.229 5.820 1.00 0.00 N ATOM 1080 CA ILE A 80 5.453 -2.852 5.196 1.00 0.00 C ATOM 1081 C ILE A 80 6.394 -4.047 5.095 1.00 0.00 C ATOM 1082 O ILE A 80 6.622 -4.757 6.074 1.00 0.00 O ATOM 1083 CB ILE A 80 6.153 -1.726 5.979 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.292 -0.461 5.975 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.525 -1.442 5.386 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.818 0.630 6.881 1.00 0.00 C ATOM 0 H ILE A 80 3.891 -2.612 6.575 1.00 0.00 H new ATOM 0 HA ILE A 80 5.216 -2.494 4.194 1.00 0.00 H new ATOM 0 HB ILE A 80 6.285 -2.049 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.229 -0.077 4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.279 -0.720 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.007 -0.644 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.137 -2.343 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.415 -1.136 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.159 1.496 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.855 0.264 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.820 0.917 6.561 1.00 0.00 H new ATOM 1098 N GLY A 81 6.942 -4.264 3.903 1.00 0.00 N ATOM 1099 CA GLY A 81 7.854 -5.373 3.695 1.00 0.00 C ATOM 1100 C GLY A 81 7.137 -6.646 3.293 1.00 0.00 C ATOM 1101 O GLY A 81 7.696 -7.739 3.392 1.00 0.00 O ATOM 0 H GLY A 81 6.770 -3.691 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.575 -5.106 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.419 -5.551 4.610 1.00 0.00 H new ATOM 1105 N ASP A 82 5.896 -6.507 2.840 1.00 0.00 N ATOM 1106 CA ASP A 82 5.101 -7.656 2.422 1.00 0.00 C ATOM 1107 C ASP A 82 4.862 -7.632 0.916 1.00 0.00 C ATOM 1108 O ASP A 82 4.624 -6.575 0.331 1.00 0.00 O ATOM 1109 CB ASP A 82 3.763 -7.674 3.163 1.00 0.00 C ATOM 1110 CG ASP A 82 3.909 -8.099 4.611 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.978 -7.838 5.201 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.954 -8.694 5.154 1.00 0.00 O ATOM 0 H ASP A 82 5.419 -5.610 2.753 1.00 0.00 H new ATOM 0 HA ASP A 82 5.657 -8.561 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.315 -6.681 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.079 -8.354 2.655 1.00 0.00 H new ATOM 1117 N VAL A 83 4.929 -8.804 0.293 1.00 0.00 N ATOM 1118 CA VAL A 83 4.720 -8.919 -1.146 1.00 0.00 C ATOM 1119 C VAL A 83 3.374 -9.563 -1.456 1.00 0.00 C ATOM 1120 O VAL A 83 2.951 -10.500 -0.779 1.00 0.00 O ATOM 1121 CB VAL A 83 5.838 -9.744 -1.812 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.649 -9.779 -3.321 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.203 -9.181 -1.449 1.00 0.00 C ATOM 0 H VAL A 83 5.126 -9.688 0.762 1.00 0.00 H new ATOM 0 HA VAL A 83 4.737 -7.907 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 83 5.782 -10.767 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.448 -10.366 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.686 -10.233 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.677 -8.763 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.981 -9.776 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.273 -8.148 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.335 -9.215 -0.367 1.00 0.00 H new ATOM 1133 N VAL A 84 2.704 -9.054 -2.486 1.00 0.00 N ATOM 1134 CA VAL A 84 1.405 -9.581 -2.888 1.00 0.00 C ATOM 1135 C VAL A 84 1.388 -9.927 -4.372 1.00 0.00 C ATOM 1136 O VAL A 84 1.792 -9.123 -5.212 1.00 0.00 O ATOM 1137 CB VAL A 84 0.276 -8.576 -2.593 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.138 -8.351 -1.095 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.532 -7.262 -3.316 1.00 0.00 C ATOM 0 H VAL A 84 3.039 -8.278 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 84 1.236 -10.486 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.662 -8.991 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.665 -7.638 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.094 -9.297 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.074 -7.957 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.275 -6.563 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.479 -6.840 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.576 -7.440 -4.390 1.00 0.00 H new ATOM 1149 N ARG A 85 0.918 -11.129 -4.689 1.00 0.00 N ATOM 1150 CA ARG A 85 0.848 -11.583 -6.073 1.00 0.00 C ATOM 1151 C ARG A 85 -0.190 -10.784 -6.855 1.00 0.00 C ATOM 1152 O ARG A 85 -1.388 -11.057 -6.773 1.00 0.00 O ATOM 1153 CB ARG A 85 0.508 -13.073 -6.127 1.00 0.00 C ATOM 1154 CG ARG A 85 1.730 -13.978 -6.113 1.00 0.00 C ATOM 1155 CD ARG A 85 2.775 -13.517 -7.116 1.00 0.00 C ATOM 1156 NE ARG A 85 3.547 -14.634 -7.654 1.00 0.00 N ATOM 1157 CZ ARG A 85 3.093 -15.458 -8.592 1.00 0.00 C ATOM 1158 NH1 ARG A 85 1.877 -15.290 -9.093 1.00 0.00 N ATOM 1159 NH2 ARG A 85 3.855 -16.451 -9.030 1.00 0.00 N ATOM 0 H ARG A 85 0.580 -11.807 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 85 1.824 -11.424 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.128 -13.323 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.071 -13.272 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.164 -13.990 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.430 -15.000 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.285 -12.988 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.450 -12.808 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 85 4.487 -14.790 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.288 -14.527 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.530 -15.924 -9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.791 -16.583 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.505 -17.083 -9.750 1.00 0.00 H new ATOM 1173 N ILE A 86 0.278 -9.797 -7.612 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.610 -8.960 -8.409 1.00 0.00 C ATOM 1175 C ILE A 86 -1.226 -9.751 -9.558 1.00 0.00 C ATOM 1176 O ILE A 86 -0.527 -10.173 -10.479 1.00 0.00 O ATOM 1177 CB ILE A 86 0.132 -7.738 -8.982 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.619 -6.833 -7.848 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -0.772 -6.967 -9.932 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.502 -5.698 -8.318 1.00 0.00 C ATOM 0 H ILE A 86 1.266 -9.558 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.401 -8.615 -7.743 1.00 0.00 H new ATOM 0 HB ILE A 86 1.000 -8.087 -9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.245 -6.419 -7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.169 -7.435 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.233 -6.106 -10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.074 -7.616 -10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.657 -6.625 -9.395 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.810 -5.098 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.384 -6.104 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.949 -5.073 -9.019 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.540 -9.945 -9.498 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.250 -10.684 -10.535 1.00 0.00 C ATOM 1194 C GLN A 87 -3.877 -9.733 -11.549 1.00 0.00 C ATOM 1195 O GLN A 87 -3.828 -9.977 -12.754 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.332 -11.568 -9.911 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.805 -12.512 -8.843 1.00 0.00 C ATOM 1198 CD GLN A 87 -3.351 -13.842 -9.413 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -2.487 -13.893 -10.289 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -3.932 -14.928 -8.916 1.00 0.00 N ATOM 0 H GLN A 87 -3.133 -9.601 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.529 -11.316 -11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.102 -10.932 -9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.810 -12.153 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.971 -12.039 -8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.584 -12.686 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.644 -14.839 -8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.667 -15.851 -9.260 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.465 -8.649 -11.052 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.102 -7.662 -11.916 1.00 0.00 C ATOM 1211 C GLU A 88 -4.843 -6.247 -11.409 1.00 0.00 C ATOM 1212 O GLU A 88 -4.291 -6.054 -10.324 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.608 -7.919 -11.997 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.007 -8.855 -13.126 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.221 -8.127 -14.439 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -6.238 -7.575 -14.978 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -8.370 -8.108 -14.927 1.00 0.00 O ATOM 0 H GLU A 88 -4.513 -8.432 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.670 -7.757 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.947 -8.340 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.124 -6.967 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.233 -9.612 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.923 -9.379 -12.852 1.00 0.00 H new ATOM 1224 N THR A 89 -5.244 -5.258 -12.201 1.00 0.00 N ATOM 1225 CA THR A 89 -5.054 -3.860 -11.835 1.00 0.00 C ATOM 1226 C THR A 89 -6.262 -3.019 -12.230 1.00 0.00 C ATOM 1227 O THR A 89 -6.776 -3.137 -13.343 1.00 0.00 O ATOM 1228 CB THR A 89 -3.794 -3.271 -12.497 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.683 -4.154 -12.307 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.467 -1.903 -11.918 1.00 0.00 C ATOM 0 H THR A 89 -5.703 -5.399 -13.101 1.00 0.00 H new ATOM 0 HA THR A 89 -4.933 -3.831 -10.752 1.00 0.00 H new ATOM 0 HB THR A 89 -3.990 -3.158 -13.563 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.886 -3.773 -12.732 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.574 -1.508 -12.401 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.303 -1.225 -12.091 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.290 -1.994 -10.846 1.00 0.00 H new ATOM 1238 N CYS A 90 -6.712 -2.170 -11.313 1.00 0.00 N ATOM 1239 CA CYS A 90 -7.861 -1.308 -11.566 1.00 0.00 C ATOM 1240 C CYS A 90 -7.598 0.110 -11.069 1.00 0.00 C ATOM 1241 O CYS A 90 -7.063 0.308 -9.979 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.109 -1.875 -10.888 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.961 -3.145 -11.854 1.00 0.00 S ATOM 0 H CYS A 90 -6.298 -2.060 -10.387 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.026 -1.271 -12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.826 -2.296 -9.923 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.803 -1.059 -10.688 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.002 -3.565 -11.197 1.00 0.00 H new ATOM 1249 N GLY A 91 -7.975 1.095 -11.879 1.00 0.00 N ATOM 1250 CA GLY A 91 -7.770 2.482 -11.505 1.00 0.00 C ATOM 1251 C GLY A 91 -6.456 2.699 -10.782 1.00 0.00 C ATOM 1252 O GLY A 91 -5.386 2.429 -11.329 1.00 0.00 O ATOM 0 H GLY A 91 -8.419 0.957 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.796 3.104 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.591 2.808 -10.866 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.534 3.190 -9.550 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.341 3.444 -8.751 1.00 0.00 C ATOM 1258 C ASP A 92 -5.238 2.451 -7.597 1.00 0.00 C ATOM 1259 O ASP A 92 -4.846 2.813 -6.488 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.360 4.874 -8.209 1.00 0.00 C ATOM 1261 CG ASP A 92 -3.979 5.364 -7.820 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -2.986 4.807 -8.333 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -3.890 6.303 -7.002 1.00 0.00 O ATOM 0 H ASP A 92 -7.411 3.420 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.470 3.318 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.779 5.540 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.017 4.922 -7.341 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.594 1.200 -7.867 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.543 0.156 -6.850 1.00 0.00 C ATOM 1270 C TRP A 93 -5.222 -1.197 -7.476 1.00 0.00 C ATOM 1271 O TRP A 93 -5.658 -1.496 -8.588 1.00 0.00 O ATOM 1272 CB TRP A 93 -6.873 0.081 -6.099 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.197 1.332 -5.340 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -7.461 2.564 -5.866 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.290 1.472 -3.918 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -7.712 3.462 -4.857 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -7.614 2.817 -3.652 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.133 0.593 -2.844 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -7.782 3.300 -2.358 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.299 1.074 -1.559 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -7.622 2.417 -1.325 1.00 0.00 C ATOM 0 H TRP A 93 -5.921 0.884 -8.780 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.750 0.408 -6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.673 -0.121 -6.811 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -6.844 -0.759 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.471 2.798 -6.920 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.935 4.449 -4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.886 -0.444 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.030 4.335 -2.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.178 0.403 -0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -7.747 2.762 -0.309 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.458 -2.011 -6.756 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.077 -3.332 -7.243 1.00 0.00 C ATOM 1294 C TYR A 94 -5.045 -4.398 -6.739 1.00 0.00 C ATOM 1295 O TYR A 94 -5.761 -4.189 -5.760 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.652 -3.670 -6.799 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.584 -2.967 -7.606 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.556 -3.064 -8.992 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.604 -2.205 -6.983 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.581 -2.425 -9.733 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.374 -1.561 -7.716 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.381 -1.674 -9.090 1.00 0.00 C ATOM 1303 OH TYR A 94 1.353 -1.034 -9.825 1.00 0.00 O ATOM 0 H TYR A 94 -4.090 -1.780 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.117 -3.316 -8.332 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.535 -3.405 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.503 -4.747 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.309 -3.649 -9.498 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.607 -2.114 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.572 -2.513 -10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.129 -0.972 -7.216 1.00 0.00 H new ATOM 0 HH TYR A 94 1.800 -0.366 -9.265 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.060 -5.541 -7.416 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.940 -6.641 -7.039 1.00 0.00 C ATOM 1315 C ARG A 95 -5.148 -7.932 -6.856 1.00 0.00 C ATOM 1316 O ARG A 95 -4.629 -8.497 -7.818 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.024 -6.841 -8.099 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.327 -7.391 -7.542 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.351 -8.911 -7.579 1.00 0.00 C ATOM 1320 NE ARG A 95 -7.818 -9.497 -6.352 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.110 -10.725 -5.936 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.926 -11.492 -6.646 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -7.586 -11.187 -4.808 1.00 0.00 N ATOM 0 H ARG A 95 -4.473 -5.730 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.412 -6.387 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.222 -5.887 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.650 -7.521 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.458 -7.049 -6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.165 -6.999 -8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.375 -9.254 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.769 -9.262 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.187 -8.933 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.331 -11.140 -7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.149 -12.434 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.958 -10.600 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.811 -12.130 -4.490 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.059 -8.395 -5.612 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.328 -9.615 -5.325 1.00 0.00 C ATOM 1339 C GLY A 96 -4.527 -10.088 -3.899 1.00 0.00 C ATOM 1340 O GLY A 96 -5.606 -9.924 -3.327 1.00 0.00 O ATOM 0 H GLY A 96 -5.480 -7.947 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.649 -10.398 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.266 -9.449 -5.505 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.486 -10.679 -3.322 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.553 -11.181 -1.955 1.00 0.00 C ATOM 1346 C TYR A 97 -2.158 -11.306 -1.352 1.00 0.00 C ATOM 1347 O TYR A 97 -1.152 -11.140 -2.043 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.259 -12.538 -1.922 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.582 -13.593 -2.767 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.294 -14.025 -2.474 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.230 -14.157 -3.859 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.671 -14.989 -3.244 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.615 -15.122 -4.634 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.336 -15.534 -4.323 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.720 -16.494 -5.093 1.00 0.00 O ATOM 0 H TYR A 97 -2.586 -10.822 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.123 -10.468 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.309 -12.887 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.286 -12.413 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.771 -13.600 -1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.231 -13.836 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.670 -15.314 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.133 -15.551 -5.479 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.324 -16.774 -5.812 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.104 -11.601 -0.058 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.832 -11.750 0.641 1.00 0.00 C ATOM 1367 C LEU A 98 -0.201 -13.105 0.340 1.00 0.00 C ATOM 1368 O LEU A 98 -0.781 -14.151 0.636 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.035 -11.592 2.149 1.00 0.00 C ATOM 1370 CG LEU A 98 0.174 -11.093 2.940 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.588 -9.709 2.465 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.133 -11.077 4.431 1.00 0.00 C ATOM 0 H LEU A 98 -2.926 -11.742 0.529 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.158 -10.970 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.862 -10.901 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.339 -12.556 2.557 1.00 0.00 H new ATOM 0 HG LEU A 98 1.004 -11.778 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.450 -9.370 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.850 -9.750 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.239 -9.013 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.739 -10.719 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.978 -10.415 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.380 -12.085 4.762 1.00 0.00 H new ATOM 1384 N ILE A 99 0.991 -13.080 -0.248 1.00 0.00 N ATOM 1385 CA ILE A 99 1.702 -14.307 -0.585 1.00 0.00 C ATOM 1386 C ILE A 99 2.019 -15.120 0.665 1.00 0.00 C ATOM 1387 O ILE A 99 1.690 -16.303 0.750 1.00 0.00 O ATOM 1388 CB ILE A 99 3.013 -14.009 -1.337 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.757 -13.031 -2.485 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.629 -15.298 -1.858 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.014 -12.620 -3.220 1.00 0.00 C ATOM 0 H ILE A 99 1.484 -12.224 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 99 1.044 -14.885 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 99 3.716 -13.548 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.065 -13.487 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.269 -12.140 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.555 -15.071 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.843 -15.963 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.932 -15.785 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.757 -11.926 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.699 -12.135 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.492 -13.503 -3.645 1.00 0.00 H new ATOM 1403 N LYS A 100 2.659 -14.477 1.636 1.00 0.00 N ATOM 1404 CA LYS A 100 3.019 -15.138 2.884 1.00 0.00 C ATOM 1405 C LYS A 100 1.786 -15.726 3.564 1.00 0.00 C ATOM 1406 O LYS A 100 1.866 -16.757 4.232 1.00 0.00 O ATOM 1407 CB LYS A 100 3.712 -14.151 3.827 1.00 0.00 C ATOM 1408 CG LYS A 100 2.976 -12.830 3.972 1.00 0.00 C ATOM 1409 CD LYS A 100 3.708 -11.885 4.910 1.00 0.00 C ATOM 1410 CE LYS A 100 3.940 -12.519 6.272 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.253 -13.219 6.343 1.00 0.00 N ATOM 0 H LYS A 100 2.939 -13.498 1.582 1.00 0.00 H new ATOM 0 HA LYS A 100 3.706 -15.951 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.813 -14.611 4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.720 -13.957 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.869 -12.362 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.970 -13.012 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.665 -11.604 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.130 -10.968 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.897 -11.749 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.139 -13.227 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.108 -14.196 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.692 -13.229 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.876 -12.721 7.010 1.00 0.00 H new ATOM 1425 N HIS A 101 0.647 -15.065 3.387 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.603 -15.523 3.981 1.00 0.00 C ATOM 1427 C HIS A 101 -1.743 -15.459 2.969 1.00 0.00 C ATOM 1428 O HIS A 101 -2.413 -14.435 2.837 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.949 -14.680 5.209 1.00 0.00 C ATOM 1430 CG HIS A 101 0.006 -14.862 6.349 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.128 -16.046 7.045 1.00 0.00 N ATOM 1432 CD2 HIS A 101 0.887 -14.003 6.912 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.043 -15.907 7.989 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.519 -14.676 7.928 1.00 0.00 N ATOM 0 H HIS A 101 0.564 -14.210 2.837 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.470 -16.561 4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.966 -13.628 4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.954 -14.936 5.544 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.061 -12.979 6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.349 -16.669 8.690 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.239 -14.288 8.537 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.955 -16.559 2.254 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.013 -16.629 1.253 1.00 0.00 C ATOM 1445 C LYS A 102 -4.358 -16.938 1.903 1.00 0.00 C ATOM 1446 O LYS A 102 -5.174 -17.671 1.344 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.683 -17.695 0.206 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.682 -17.232 -0.839 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.634 -18.182 -2.024 1.00 0.00 C ATOM 1450 CE LYS A 102 -0.254 -18.207 -2.663 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.747 -18.883 -1.793 1.00 0.00 N ATOM 0 H LYS A 102 -1.408 -17.414 2.349 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.081 -15.657 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.288 -18.577 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.603 -17.999 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.950 -16.233 -1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.692 -17.160 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.903 -19.187 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.374 -17.879 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.307 -18.721 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.071 -17.187 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.553 -19.198 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.081 -18.218 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.308 -19.706 -1.333 1.00 0.00 H new ATOM 1465 N MET A 103 -4.582 -16.375 3.085 1.00 0.00 N ATOM 1466 CA MET A 103 -5.830 -16.589 3.809 1.00 0.00 C ATOM 1467 C MET A 103 -6.729 -15.360 3.720 1.00 0.00 C ATOM 1468 O MET A 103 -7.877 -15.384 4.164 1.00 0.00 O ATOM 1469 CB MET A 103 -5.543 -16.921 5.275 1.00 0.00 C ATOM 1470 CG MET A 103 -5.369 -18.408 5.539 1.00 0.00 C ATOM 1471 SD MET A 103 -6.922 -19.227 5.950 1.00 0.00 S ATOM 1472 CE MET A 103 -7.959 -18.687 4.593 1.00 0.00 C ATOM 0 H MET A 103 -3.916 -15.767 3.562 1.00 0.00 H new ATOM 0 HA MET A 103 -6.349 -17.430 3.348 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.640 -16.397 5.588 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.360 -16.544 5.891 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.935 -18.881 4.658 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.662 -18.548 6.357 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.909 -19.221 4.626 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.142 -17.616 4.679 1.00 0.00 H new ATOM 0 HE3 MET A 103 -7.458 -18.895 3.647 1.00 0.00 H new ATOM 1482 N LEU A 104 -6.199 -14.286 3.145 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.953 -13.046 2.998 1.00 0.00 C ATOM 1484 C LEU A 104 -6.686 -12.403 1.641 1.00 0.00 C ATOM 1485 O LEU A 104 -5.544 -12.089 1.307 1.00 0.00 O ATOM 1486 CB LEU A 104 -6.590 -12.069 4.118 1.00 0.00 C ATOM 1487 CG LEU A 104 -5.109 -11.996 4.491 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -4.754 -10.608 5.001 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.768 -13.052 5.532 1.00 0.00 C ATOM 0 H LEU A 104 -5.250 -14.249 2.773 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.014 -13.286 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.920 -11.072 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.155 -12.342 5.009 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.519 -12.193 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.696 -10.576 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.959 -9.871 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.352 -10.381 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.710 -12.985 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.367 -12.887 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.983 -14.042 5.130 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.747 -12.210 0.864 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.627 -11.604 -0.456 1.00 0.00 C ATOM 1503 C GLN A 105 -8.466 -10.334 -0.550 1.00 0.00 C ATOM 1504 O GLN A 105 -9.479 -10.195 0.134 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.057 -12.596 -1.538 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.451 -13.980 -1.370 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.154 -15.030 -2.208 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.382 -15.050 -2.296 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.376 -15.910 -2.828 1.00 0.00 N ATOM 0 H GLN A 105 -8.699 -12.465 1.126 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.581 -11.339 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.144 -12.681 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.775 -12.201 -2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.397 -13.947 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.497 -14.268 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.363 -15.855 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.792 -16.640 -3.406 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.037 -9.409 -1.404 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.761 -8.162 -1.572 1.00 0.00 C ATOM 1520 C GLY A 106 -8.052 -7.202 -2.506 1.00 0.00 C ATOM 1521 O GLY A 106 -7.482 -7.615 -3.516 1.00 0.00 O ATOM 0 H GLY A 106 -7.202 -9.501 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.757 -8.373 -1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.892 -7.688 -0.599 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.089 -5.917 -2.170 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.445 -4.895 -2.987 1.00 0.00 C ATOM 1527 C ILE A 107 -6.681 -3.900 -2.121 1.00 0.00 C ATOM 1528 O ILE A 107 -6.853 -3.860 -0.903 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.472 -4.131 -3.844 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.559 -3.524 -2.955 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.085 -5.055 -4.885 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.408 -2.489 -3.660 1.00 0.00 C ATOM 0 H ILE A 107 -8.558 -5.559 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.746 -5.411 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.960 -3.321 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.204 -4.322 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.091 -3.066 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.809 -4.501 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.300 -5.444 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.586 -5.884 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.157 -2.102 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.774 -1.672 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.905 -2.947 -4.515 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.836 -3.096 -2.759 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.045 -2.099 -2.047 1.00 0.00 C ATOM 1546 C PHE A 108 -4.574 -1.000 -2.996 1.00 0.00 C ATOM 1547 O PHE A 108 -4.555 -1.164 -4.216 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.840 -2.759 -1.374 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.339 -3.974 -2.101 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.882 -5.223 -1.844 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.327 -3.869 -3.040 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.423 -6.344 -2.510 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -1.863 -4.985 -3.710 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.413 -6.224 -3.445 1.00 0.00 C ATOM 0 H PHE A 108 -5.682 -3.116 -3.767 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.677 -1.648 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.032 -2.031 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.111 -3.040 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.673 -5.322 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.895 -2.902 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.853 -7.312 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.072 -4.889 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.054 -7.098 -3.968 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.186 0.149 -2.423 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.707 1.298 -3.198 1.00 0.00 C ATOM 1566 C PRO A 109 -2.346 1.041 -3.835 1.00 0.00 C ATOM 1567 O PRO A 109 -1.397 0.645 -3.159 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.607 2.413 -2.154 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.415 1.703 -0.858 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.182 0.414 -0.974 1.00 0.00 C ATOM 0 HA PRO A 109 -4.370 1.533 -4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.772 3.081 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.509 3.025 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.358 1.513 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.784 2.303 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.701 -0.391 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.194 0.512 -0.580 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.257 1.269 -5.141 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.012 1.065 -5.871 1.00 0.00 C ATOM 1580 C LYS A 110 0.102 1.938 -5.302 1.00 0.00 C ATOM 1581 O LYS A 110 1.274 1.563 -5.333 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.210 1.376 -7.357 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.189 0.442 -8.048 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.649 1.006 -9.382 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.535 0.969 -10.417 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.036 1.286 -11.783 1.00 0.00 N ATOM 0 H LYS A 110 -3.034 1.596 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.723 0.020 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.564 2.402 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.246 1.318 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.719 -0.529 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.053 0.277 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.503 0.434 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.987 2.033 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.759 1.682 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.074 -0.019 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.310 1.039 -12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.900 0.739 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.249 2.302 -11.848 1.00 0.00 H new ATOM 1600 N SER A 111 -0.272 3.102 -4.782 1.00 0.00 N ATOM 1601 CA SER A 111 0.695 4.030 -4.209 1.00 0.00 C ATOM 1602 C SER A 111 1.386 3.412 -2.996 1.00 0.00 C ATOM 1603 O SER A 111 2.369 3.951 -2.486 1.00 0.00 O ATOM 1604 CB SER A 111 0.007 5.335 -3.807 1.00 0.00 C ATOM 1605 OG SER A 111 -0.406 6.066 -4.949 1.00 0.00 O ATOM 0 H SER A 111 -1.239 3.425 -4.746 1.00 0.00 H new ATOM 0 HA SER A 111 1.449 4.244 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.857 5.116 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.689 5.941 -3.211 1.00 0.00 H new ATOM 0 HG SER A 111 -0.845 6.895 -4.666 1.00 0.00 H new ATOM 1611 N PHE A 112 0.865 2.278 -2.540 1.00 0.00 N ATOM 1612 CA PHE A 112 1.430 1.587 -1.387 1.00 0.00 C ATOM 1613 C PHE A 112 2.247 0.376 -1.826 1.00 0.00 C ATOM 1614 O PHE A 112 3.068 -0.141 -1.067 1.00 0.00 O ATOM 1615 CB PHE A 112 0.317 1.147 -0.434 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.205 2.258 0.432 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.796 3.376 -0.135 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.106 2.184 1.812 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.277 4.400 0.659 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.585 3.205 2.611 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.172 4.314 2.034 1.00 0.00 C ATOM 0 H PHE A 112 0.053 1.818 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 112 2.091 2.280 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.506 0.733 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.691 0.346 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.882 3.448 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.351 1.318 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.735 5.267 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.500 3.136 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.548 5.112 2.656 1.00 0.00 H new ATOM 1631 N ILE A 113 2.016 -0.072 -3.055 1.00 0.00 N ATOM 1632 CA ILE A 113 2.731 -1.222 -3.596 1.00 0.00 C ATOM 1633 C ILE A 113 3.903 -0.782 -4.466 1.00 0.00 C ATOM 1634 O ILE A 113 3.744 0.037 -5.373 1.00 0.00 O ATOM 1635 CB ILE A 113 1.799 -2.124 -4.427 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.615 -2.592 -3.578 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.568 -3.317 -4.975 1.00 0.00 C ATOM 1638 CD1 ILE A 113 1.022 -3.405 -2.369 1.00 0.00 C ATOM 0 H ILE A 113 1.339 0.344 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 113 3.107 -1.789 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 113 1.414 -1.547 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.049 -1.721 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.053 -3.189 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.896 -3.945 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.381 -2.965 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.978 -3.896 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.132 -3.703 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.562 -4.295 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.666 -2.804 -1.727 1.00 0.00 H new ATOM 1650 N HIS A 114 5.080 -1.331 -4.186 1.00 0.00 N ATOM 1651 CA HIS A 114 6.280 -0.996 -4.945 1.00 0.00 C ATOM 1652 C HIS A 114 6.557 -2.048 -6.015 1.00 0.00 C ATOM 1653 O HIS A 114 7.085 -3.121 -5.721 1.00 0.00 O ATOM 1654 CB HIS A 114 7.483 -0.874 -4.010 1.00 0.00 C ATOM 1655 CG HIS A 114 8.754 -0.508 -4.713 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.914 0.667 -5.417 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.930 -1.170 -4.818 1.00 0.00 C ATOM 1658 CE1 HIS A 114 10.132 0.711 -5.925 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.770 -0.391 -5.576 1.00 0.00 N ATOM 0 H HIS A 114 5.229 -2.010 -3.439 1.00 0.00 H new ATOM 0 HA HIS A 114 6.113 -0.038 -5.437 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.268 -0.122 -3.251 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.625 -1.821 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.164 -2.132 -4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.538 1.513 -6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.730 -0.626 -5.828 1.00 0.00 H new ATOM 1668 N ILE A 115 6.197 -1.734 -7.254 1.00 0.00 N ATOM 1669 CA ILE A 115 6.407 -2.652 -8.366 1.00 0.00 C ATOM 1670 C ILE A 115 7.891 -2.798 -8.686 1.00 0.00 C ATOM 1671 O ILE A 115 8.484 -1.939 -9.338 1.00 0.00 O ATOM 1672 CB ILE A 115 5.664 -2.184 -9.632 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.177 -1.989 -9.333 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.857 -3.185 -10.760 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.431 -3.285 -9.103 1.00 0.00 C ATOM 0 H ILE A 115 5.758 -0.850 -7.513 1.00 0.00 H new ATOM 0 HA ILE A 115 6.007 -3.618 -8.057 1.00 0.00 H new ATOM 0 HB ILE A 115 6.080 -1.227 -9.948 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.072 -1.357 -8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.715 -1.456 -10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.326 -2.840 -11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.919 -3.278 -10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.464 -4.155 -10.456 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.383 -3.070 -8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.505 -3.910 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.868 -3.810 -8.253 1.00 0.00 H new ATOM 1687 N LYS A 116 8.486 -3.892 -8.224 1.00 0.00 N ATOM 1688 CA LYS A 116 9.900 -4.154 -8.462 1.00 0.00 C ATOM 1689 C LYS A 116 10.167 -4.394 -9.945 1.00 0.00 C ATOM 1690 O LYS A 116 10.261 -5.537 -10.390 1.00 0.00 O ATOM 1691 CB LYS A 116 10.360 -5.366 -7.648 1.00 0.00 C ATOM 1692 CG LYS A 116 10.227 -5.175 -6.147 1.00 0.00 C ATOM 1693 CD LYS A 116 10.461 -6.476 -5.398 1.00 0.00 C ATOM 1694 CE LYS A 116 11.928 -6.658 -5.040 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.281 -8.093 -4.857 1.00 0.00 N ATOM 0 H LYS A 116 8.010 -4.613 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 116 10.464 -3.276 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.778 -6.237 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.401 -5.581 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.943 -4.426 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.233 -4.794 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.860 -6.487 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.128 -7.314 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.549 -6.229 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.149 -6.110 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.289 -8.174 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.706 -8.497 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.095 -8.612 -5.739 1.00 0.00 H new