USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ 180:sc= 0.565 (180deg=0.565) USER MOD Single : A 61 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-6.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= 0.731 F(o=-0.91,f=0.73) 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= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.4) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -119:sc= 0.352 USER MOD Single : A 90 CYS SG : rot -9:sc= -0.593 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -136:sc= -0.203 (180deg=-1.81!) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -1.63 F(o=-2.3,f=-1.6) USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= -0.132 (180deg=-0.67) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.394 X(o=0.39,f=-0.08) 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 2.617 -9.787 -11.889 1.00 0.00 N ATOM 782 CA ARG A 60 3.406 -8.631 -11.480 1.00 0.00 C ATOM 783 C ARG A 60 3.837 -8.755 -10.022 1.00 0.00 C ATOM 784 O ARG A 60 3.056 -9.173 -9.166 1.00 0.00 O ATOM 785 CB ARG A 60 2.604 -7.343 -11.678 1.00 0.00 C ATOM 786 CG ARG A 60 3.465 -6.132 -11.996 1.00 0.00 C ATOM 787 CD ARG A 60 3.661 -5.965 -13.495 1.00 0.00 C ATOM 788 NE ARG A 60 4.626 -6.921 -14.031 1.00 0.00 N ATOM 789 CZ ARG A 60 4.854 -7.086 -15.329 1.00 0.00 C ATOM 790 NH1 ARG A 60 4.189 -6.363 -16.219 1.00 0.00 N ATOM 791 NH2 ARG A 60 5.749 -7.976 -15.739 1.00 0.00 N ATOM 0 HA ARG A 60 4.300 -8.594 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.888 -7.492 -12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.028 -7.141 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.999 -5.236 -11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.435 -6.237 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.705 -6.093 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.000 -4.951 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 60 5.154 -7.494 -13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.500 -5.678 -15.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.366 -6.492 -17.215 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.263 -8.534 -15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.923 -8.102 -16.736 1.00 0.00 H new ATOM 805 N HIS A 61 5.085 -8.389 -9.745 1.00 0.00 N ATOM 806 CA HIS A 61 5.620 -8.459 -8.390 1.00 0.00 C ATOM 807 C HIS A 61 5.628 -7.080 -7.737 1.00 0.00 C ATOM 808 O HIS A 61 6.297 -6.163 -8.210 1.00 0.00 O ATOM 809 CB HIS A 61 7.035 -9.037 -8.408 1.00 0.00 C ATOM 810 CG HIS A 61 7.384 -9.806 -7.170 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.567 -9.631 -6.484 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.696 -10.757 -6.496 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.592 -10.442 -5.441 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.468 -11.136 -5.426 1.00 0.00 N ATOM 0 H HIS A 61 5.744 -8.041 -10.441 1.00 0.00 H new ATOM 0 HA HIS A 61 4.976 -9.114 -7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.141 -9.691 -9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.749 -8.223 -8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.721 -11.145 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.395 -10.524 -4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.215 -11.839 -4.732 1.00 0.00 H new ATOM 823 N GLY A 62 4.880 -6.942 -6.647 1.00 0.00 N ATOM 824 CA GLY A 62 4.815 -5.672 -5.948 1.00 0.00 C ATOM 825 C GLY A 62 5.218 -5.791 -4.492 1.00 0.00 C ATOM 826 O GLY A 62 5.307 -6.894 -3.952 1.00 0.00 O ATOM 0 H GLY A 62 4.318 -7.687 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.467 -4.954 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.801 -5.278 -6.010 1.00 0.00 H new ATOM 830 N VAL A 63 5.466 -4.652 -3.853 1.00 0.00 N ATOM 831 CA VAL A 63 5.864 -4.632 -2.450 1.00 0.00 C ATOM 832 C VAL A 63 5.271 -3.428 -1.728 1.00 0.00 C ATOM 833 O VAL A 63 5.302 -2.308 -2.238 1.00 0.00 O ATOM 834 CB VAL A 63 7.396 -4.603 -2.302 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.790 -4.068 -0.934 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.980 -5.989 -2.530 1.00 0.00 C ATOM 0 H VAL A 63 5.398 -3.730 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 63 5.481 -5.547 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 63 7.804 -3.933 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.876 -4.055 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.404 -3.056 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.372 -4.710 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.064 -5.949 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.567 -6.683 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.728 -6.329 -3.534 1.00 0.00 H new ATOM 846 N ALA A 64 4.732 -3.666 -0.537 1.00 0.00 N ATOM 847 CA ALA A 64 4.134 -2.600 0.258 1.00 0.00 C ATOM 848 C ALA A 64 5.197 -1.635 0.770 1.00 0.00 C ATOM 849 O ALA A 64 6.226 -2.054 1.300 1.00 0.00 O ATOM 850 CB ALA A 64 3.347 -3.187 1.421 1.00 0.00 C ATOM 0 H ALA A 64 4.697 -4.588 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 64 3.452 -2.041 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.906 -2.380 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.556 -3.831 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.015 -3.771 2.054 1.00 0.00 H new ATOM 856 N ILE A 65 4.942 -0.341 0.608 1.00 0.00 N ATOM 857 CA ILE A 65 5.878 0.684 1.054 1.00 0.00 C ATOM 858 C ILE A 65 5.315 1.465 2.237 1.00 0.00 C ATOM 859 O ILE A 65 6.043 2.181 2.924 1.00 0.00 O ATOM 860 CB ILE A 65 6.219 1.668 -0.081 1.00 0.00 C ATOM 861 CG1 ILE A 65 4.938 2.223 -0.706 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.076 0.983 -1.135 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.190 3.242 -1.795 1.00 0.00 C ATOM 0 H ILE A 65 4.095 0.023 0.171 1.00 0.00 H new ATOM 0 HA ILE A 65 6.788 0.168 1.362 1.00 0.00 H new ATOM 0 HB ILE A 65 6.787 2.500 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.358 1.398 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.331 2.680 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.309 1.691 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.002 0.632 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.532 0.135 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.238 3.592 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.744 4.086 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.771 2.783 -2.595 1.00 0.00 H new ATOM 875 N TYR A 66 4.015 1.320 2.469 1.00 0.00 N ATOM 876 CA TYR A 66 3.353 2.013 3.568 1.00 0.00 C ATOM 877 C TYR A 66 2.331 1.106 4.247 1.00 0.00 C ATOM 878 O TYR A 66 1.614 0.357 3.585 1.00 0.00 O ATOM 879 CB TYR A 66 2.668 3.282 3.061 1.00 0.00 C ATOM 880 CG TYR A 66 3.606 4.236 2.356 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.822 4.593 2.925 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.276 4.780 1.121 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.682 5.465 2.285 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.130 5.651 0.473 1.00 0.00 C ATOM 885 CZ TYR A 66 5.332 5.991 1.059 1.00 0.00 C ATOM 886 OH TYR A 66 6.186 6.859 0.418 1.00 0.00 O ATOM 0 H TYR A 66 3.399 0.729 1.911 1.00 0.00 H new ATOM 0 HA TYR A 66 4.112 2.287 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.866 3.004 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.205 3.796 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.100 4.182 3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.335 4.517 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.623 5.733 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.858 6.064 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 66 5.791 7.137 -0.435 1.00 0.00 H new ATOM 896 N ASN A 67 2.270 1.181 5.572 1.00 0.00 N ATOM 897 CA ASN A 67 1.335 0.368 6.342 1.00 0.00 C ATOM 898 C ASN A 67 -0.106 0.779 6.057 1.00 0.00 C ATOM 899 O ASN A 67 -0.581 1.801 6.554 1.00 0.00 O ATOM 900 CB ASN A 67 1.628 0.495 7.838 1.00 0.00 C ATOM 901 CG ASN A 67 1.994 1.912 8.237 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.192 2.082 8.783 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 1.209 2.842 8.055 1.00 0.00 N flip ATOM 0 H ASN A 67 2.857 1.796 6.135 1.00 0.00 H new ATOM 0 HA ASN A 67 1.463 -0.672 6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.754 0.175 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.444 -0.177 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.298 2.665 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.469 3.790 8.327 1.00 0.00 H new ATOM 910 N PHE A 68 -0.798 -0.024 5.256 1.00 0.00 N ATOM 911 CA PHE A 68 -2.185 0.256 4.905 1.00 0.00 C ATOM 912 C PHE A 68 -3.140 -0.396 5.900 1.00 0.00 C ATOM 913 O PHE A 68 -2.915 -1.521 6.345 1.00 0.00 O ATOM 914 CB PHE A 68 -2.486 -0.242 3.490 1.00 0.00 C ATOM 915 CG PHE A 68 -3.903 0.003 3.057 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.261 1.198 2.453 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.878 -0.962 3.252 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.564 1.425 2.054 1.00 0.00 C ATOM 919 CE2 PHE A 68 -6.183 -0.740 2.855 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.526 0.455 2.255 1.00 0.00 C ATOM 0 H PHE A 68 -0.421 -0.874 4.838 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.332 1.335 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.810 0.249 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.278 -1.311 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.513 1.960 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.615 -1.899 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.830 2.361 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.933 -1.500 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.545 0.631 1.943 1.00 0.00 H new ATOM 930 N GLN A 69 -4.207 0.319 6.243 1.00 0.00 N ATOM 931 CA GLN A 69 -5.196 -0.190 7.186 1.00 0.00 C ATOM 932 C GLN A 69 -6.606 -0.053 6.622 1.00 0.00 C ATOM 933 O GLN A 69 -7.130 1.052 6.496 1.00 0.00 O ATOM 934 CB GLN A 69 -5.092 0.555 8.518 1.00 0.00 C ATOM 935 CG GLN A 69 -5.302 2.055 8.394 1.00 0.00 C ATOM 936 CD GLN A 69 -4.707 2.826 9.556 1.00 0.00 C ATOM 937 OE1 GLN A 69 -3.722 3.547 9.399 1.00 0.00 O ATOM 938 NE2 GLN A 69 -5.305 2.678 10.733 1.00 0.00 N ATOM 0 H GLN A 69 -4.408 1.252 5.882 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.992 -1.248 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.830 0.149 9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.110 0.369 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.855 2.405 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.370 2.265 8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.119 2.070 10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.950 3.172 11.551 1.00 0.00 H new ATOM 947 N GLY A 70 -7.216 -1.186 6.285 1.00 0.00 N ATOM 948 CA GLY A 70 -8.560 -1.171 5.738 1.00 0.00 C ATOM 949 C GLY A 70 -9.608 -1.551 6.765 1.00 0.00 C ATOM 950 O GLY A 70 -9.385 -1.418 7.969 1.00 0.00 O ATOM 0 H GLY A 70 -6.803 -2.114 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.780 -0.176 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.614 -1.861 4.896 1.00 0.00 H new ATOM 954 N SER A 71 -10.756 -2.023 6.290 1.00 0.00 N ATOM 955 CA SER A 71 -11.845 -2.418 7.176 1.00 0.00 C ATOM 956 C SER A 71 -12.319 -3.833 6.856 1.00 0.00 C ATOM 957 O SER A 71 -12.507 -4.654 7.752 1.00 0.00 O ATOM 958 CB SER A 71 -13.012 -1.437 7.052 1.00 0.00 C ATOM 959 OG SER A 71 -12.746 -0.237 7.757 1.00 0.00 O ATOM 0 H SER A 71 -10.956 -2.141 5.297 1.00 0.00 H new ATOM 0 HA SER A 71 -11.472 -2.401 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.192 -1.213 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.921 -1.897 7.440 1.00 0.00 H new ATOM 0 HG SER A 71 -13.506 0.374 7.661 1.00 0.00 H new ATOM 965 N GLY A 72 -12.509 -4.110 5.569 1.00 0.00 N ATOM 966 CA GLY A 72 -12.960 -5.425 5.153 1.00 0.00 C ATOM 967 C GLY A 72 -13.106 -5.538 3.648 1.00 0.00 C ATOM 968 O GLY A 72 -13.240 -4.531 2.953 1.00 0.00 O ATOM 0 H GLY A 72 -12.359 -3.448 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.253 -6.176 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.918 -5.644 5.625 1.00 0.00 H new ATOM 972 N ALA A 73 -13.077 -6.767 3.143 1.00 0.00 N ATOM 973 CA ALA A 73 -13.207 -7.008 1.712 1.00 0.00 C ATOM 974 C ALA A 73 -14.255 -6.088 1.093 1.00 0.00 C ATOM 975 O ALA A 73 -15.170 -5.611 1.764 1.00 0.00 O ATOM 976 CB ALA A 73 -13.562 -8.465 1.452 1.00 0.00 C ATOM 0 H ALA A 73 -12.965 -7.611 3.704 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.247 -6.790 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.656 -8.631 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.777 -9.108 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.508 -8.702 1.940 1.00 0.00 H new ATOM 982 N PRO A 74 -14.119 -5.831 -0.216 1.00 0.00 N ATOM 983 CA PRO A 74 -13.032 -6.393 -1.024 1.00 0.00 C ATOM 984 C PRO A 74 -11.675 -5.797 -0.666 1.00 0.00 C ATOM 985 O PRO A 74 -10.649 -6.193 -1.218 1.00 0.00 O ATOM 986 CB PRO A 74 -13.422 -6.014 -2.455 1.00 0.00 C ATOM 987 CG PRO A 74 -14.275 -4.802 -2.307 1.00 0.00 C ATOM 988 CD PRO A 74 -15.014 -4.972 -1.008 1.00 0.00 C ATOM 0 HA PRO A 74 -12.921 -7.466 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.542 -5.807 -3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.965 -6.823 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.668 -3.897 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.970 -4.709 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.190 -4.015 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.988 -5.437 -1.158 1.00 0.00 H new ATOM 996 N GLN A 75 -11.679 -4.844 0.260 1.00 0.00 N ATOM 997 CA GLN A 75 -10.447 -4.193 0.691 1.00 0.00 C ATOM 998 C GLN A 75 -9.563 -5.162 1.470 1.00 0.00 C ATOM 999 O GLN A 75 -10.060 -6.023 2.198 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.765 -2.970 1.551 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.776 -2.027 0.918 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.581 -1.258 1.947 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -13.801 -1.136 1.833 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -11.901 -0.735 2.961 1.00 0.00 N ATOM 0 H GLN A 75 -12.521 -4.505 0.726 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.906 -3.871 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.147 -3.304 2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.842 -2.423 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.254 -1.323 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.454 -2.599 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.890 -0.861 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.390 -0.208 3.685 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.252 -5.017 1.312 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.299 -5.880 2.001 1.00 0.00 C ATOM 1015 C LEU A 76 -6.209 -5.055 2.679 1.00 0.00 C ATOM 1016 O LEU A 76 -5.781 -4.026 2.157 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.669 -6.866 1.016 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.359 -7.516 1.462 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.633 -8.699 2.376 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.541 -7.951 0.254 1.00 0.00 C ATOM 0 H LEU A 76 -7.825 -4.310 0.713 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.838 -6.436 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.392 -7.656 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.491 -6.345 0.075 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.782 -6.779 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.688 -9.148 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.177 -8.359 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.231 -9.439 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.612 -8.411 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.112 -8.672 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.313 -7.082 -0.363 1.00 0.00 H new ATOM 1032 N SER A 77 -5.765 -5.515 3.844 1.00 0.00 N ATOM 1033 CA SER A 77 -4.726 -4.819 4.594 1.00 0.00 C ATOM 1034 C SER A 77 -3.341 -5.175 4.063 1.00 0.00 C ATOM 1035 O SER A 77 -3.159 -6.202 3.407 1.00 0.00 O ATOM 1036 CB SER A 77 -4.820 -5.169 6.081 1.00 0.00 C ATOM 1037 OG SER A 77 -4.383 -6.496 6.321 1.00 0.00 O ATOM 0 H SER A 77 -6.108 -6.366 4.289 1.00 0.00 H new ATOM 0 HA SER A 77 -4.879 -3.747 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.214 -4.473 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.849 -5.055 6.420 1.00 0.00 H new ATOM 0 HG SER A 77 -4.451 -6.695 7.278 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.366 -4.320 4.350 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.996 -4.542 3.902 1.00 0.00 C ATOM 1045 C LEU A 78 0.005 -4.040 4.938 1.00 0.00 C ATOM 1046 O LEU A 78 -0.302 -3.148 5.729 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.756 -3.842 2.563 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.353 -4.525 1.332 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.942 -3.793 0.064 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.924 -5.984 1.271 1.00 0.00 C ATOM 0 H LEU A 78 -2.499 -3.466 4.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.852 -5.615 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.162 -2.832 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.319 -3.745 2.414 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.440 -4.490 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.376 -4.293 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.300 -2.764 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.145 -3.796 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.358 -6.454 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.163 -6.042 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.269 -6.502 2.165 1.00 0.00 H new ATOM 1062 N GLN A 79 1.202 -4.617 4.926 1.00 0.00 N ATOM 1063 CA GLN A 79 2.247 -4.226 5.864 1.00 0.00 C ATOM 1064 C GLN A 79 3.554 -3.936 5.133 1.00 0.00 C ATOM 1065 O GLN A 79 3.989 -4.717 4.286 1.00 0.00 O ATOM 1066 CB GLN A 79 2.465 -5.325 6.905 1.00 0.00 C ATOM 1067 CG GLN A 79 1.438 -5.313 8.026 1.00 0.00 C ATOM 1068 CD GLN A 79 1.352 -6.641 8.753 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.258 -7.698 8.129 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.383 -6.593 10.080 1.00 0.00 N ATOM 0 H GLN A 79 1.472 -5.356 4.277 1.00 0.00 H new ATOM 0 HA GLN A 79 1.924 -3.316 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.437 -6.295 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.461 -5.215 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.693 -4.529 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.460 -5.064 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.462 -5.694 10.556 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.328 -7.455 10.623 1.00 0.00 H new ATOM 1079 N ILE A 80 4.175 -2.810 5.466 1.00 0.00 N ATOM 1080 CA ILE A 80 5.432 -2.418 4.841 1.00 0.00 C ATOM 1081 C ILE A 80 6.402 -3.593 4.773 1.00 0.00 C ATOM 1082 O ILE A 80 6.619 -4.290 5.763 1.00 0.00 O ATOM 1083 CB ILE A 80 6.101 -1.258 5.601 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.229 -0.003 5.531 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.485 -0.980 5.033 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.628 1.067 6.523 1.00 0.00 C ATOM 0 H ILE A 80 3.828 -2.153 6.165 1.00 0.00 H new ATOM 0 HA ILE A 80 5.192 -2.089 3.830 1.00 0.00 H new ATOM 0 HB ILE A 80 6.210 -1.544 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.281 0.410 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.190 -0.282 5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.945 -0.157 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.104 -1.872 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.399 -0.711 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.967 1.927 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.549 0.672 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.656 1.374 6.333 1.00 0.00 H new ATOM 1098 N GLY A 81 6.985 -3.805 3.597 1.00 0.00 N ATOM 1099 CA GLY A 81 7.926 -4.895 3.421 1.00 0.00 C ATOM 1100 C GLY A 81 7.242 -6.202 3.073 1.00 0.00 C ATOM 1101 O GLY A 81 7.834 -7.274 3.201 1.00 0.00 O ATOM 0 H GLY A 81 6.822 -3.241 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.632 -4.637 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.504 -5.023 4.336 1.00 0.00 H new ATOM 1105 N ASP A 82 5.991 -6.114 2.634 1.00 0.00 N ATOM 1106 CA ASP A 82 5.225 -7.299 2.268 1.00 0.00 C ATOM 1107 C ASP A 82 4.967 -7.336 0.764 1.00 0.00 C ATOM 1108 O ASP A 82 4.571 -6.335 0.167 1.00 0.00 O ATOM 1109 CB ASP A 82 3.897 -7.329 3.026 1.00 0.00 C ATOM 1110 CG ASP A 82 4.090 -7.419 4.527 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.049 -6.805 5.040 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.282 -8.103 5.190 1.00 0.00 O ATOM 0 H ASP A 82 5.486 -5.235 2.523 1.00 0.00 H new ATOM 0 HA ASP A 82 5.810 -8.178 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.326 -6.431 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.307 -8.180 2.687 1.00 0.00 H new ATOM 1117 N VAL A 83 5.196 -8.497 0.158 1.00 0.00 N ATOM 1118 CA VAL A 83 4.989 -8.664 -1.275 1.00 0.00 C ATOM 1119 C VAL A 83 3.649 -9.333 -1.562 1.00 0.00 C ATOM 1120 O VAL A 83 3.282 -10.316 -0.918 1.00 0.00 O ATOM 1121 CB VAL A 83 6.114 -9.502 -1.911 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.848 -9.717 -3.393 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.463 -8.832 -1.695 1.00 0.00 C ATOM 0 H VAL A 83 5.525 -9.335 0.637 1.00 0.00 H new ATOM 0 HA VAL A 83 4.996 -7.666 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 83 6.136 -10.478 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.653 -10.311 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.901 -10.242 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.798 -8.752 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.247 -9.437 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.456 -7.843 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.654 -8.735 -0.626 1.00 0.00 H new ATOM 1133 N VAL A 84 2.921 -8.794 -2.535 1.00 0.00 N ATOM 1134 CA VAL A 84 1.621 -9.338 -2.909 1.00 0.00 C ATOM 1135 C VAL A 84 1.582 -9.699 -4.390 1.00 0.00 C ATOM 1136 O VAL A 84 2.109 -8.969 -5.231 1.00 0.00 O ATOM 1137 CB VAL A 84 0.486 -8.343 -2.604 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.497 -7.955 -1.134 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.605 -7.112 -3.490 1.00 0.00 C ATOM 0 H VAL A 84 3.210 -7.981 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 84 1.472 -10.239 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.466 -8.827 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.312 -7.251 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.360 -8.846 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.451 -7.489 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.205 -6.419 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.562 -6.624 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.543 -7.410 -4.537 1.00 0.00 H new ATOM 1149 N ARG A 85 0.955 -10.828 -4.703 1.00 0.00 N ATOM 1150 CA ARG A 85 0.848 -11.285 -6.083 1.00 0.00 C ATOM 1151 C ARG A 85 -0.278 -10.558 -6.811 1.00 0.00 C ATOM 1152 O ARG A 85 -1.454 -10.876 -6.631 1.00 0.00 O ATOM 1153 CB ARG A 85 0.605 -12.795 -6.124 1.00 0.00 C ATOM 1154 CG ARG A 85 1.881 -13.619 -6.089 1.00 0.00 C ATOM 1155 CD ARG A 85 2.524 -13.712 -7.464 1.00 0.00 C ATOM 1156 NE ARG A 85 1.830 -14.662 -8.329 1.00 0.00 N ATOM 1157 CZ ARG A 85 1.867 -15.978 -8.153 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.560 -16.497 -7.148 1.00 0.00 N ATOM 1159 NH2 ARG A 85 1.209 -16.779 -8.982 1.00 0.00 N ATOM 0 H ARG A 85 0.513 -11.443 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 85 1.788 -11.061 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.022 -13.076 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.049 -13.040 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.585 -13.172 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.658 -14.621 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.523 -12.728 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.566 -14.013 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 85 1.287 -14.295 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.066 -15.885 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.587 -17.508 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.674 -16.384 -9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.238 -17.789 -8.846 1.00 0.00 H new ATOM 1173 N ILE A 86 0.090 -9.580 -7.633 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.889 -8.809 -8.388 1.00 0.00 C ATOM 1175 C ILE A 86 -1.552 -9.663 -9.463 1.00 0.00 C ATOM 1176 O ILE A 86 -0.893 -10.125 -10.395 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.245 -7.577 -9.051 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.279 -6.612 -7.986 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.247 -6.879 -9.959 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.289 -5.618 -8.514 1.00 0.00 C ATOM 0 H ILE A 86 1.059 -9.304 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.644 -8.475 -7.676 1.00 0.00 H new ATOM 0 HB ILE A 86 0.597 -7.909 -9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.562 -6.069 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.735 -7.187 -7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.777 -6.010 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.576 -7.569 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.107 -6.557 -9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.616 -4.967 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.148 -6.153 -8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.832 -5.017 -9.300 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.858 -9.867 -9.328 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.610 -10.665 -10.289 1.00 0.00 C ATOM 1194 C GLN A 87 -4.381 -9.770 -11.255 1.00 0.00 C ATOM 1195 O GLN A 87 -4.528 -10.095 -12.432 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.576 -11.602 -9.562 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.895 -12.514 -8.554 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.843 -13.537 -7.960 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.799 -13.187 -7.268 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.582 -14.812 -8.228 1.00 0.00 N ATOM 0 H GLN A 87 -3.417 -9.491 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.900 -11.261 -10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.330 -11.006 -9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.099 -12.213 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.066 -13.030 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.469 -11.910 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.778 -15.057 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.185 -15.545 -7.855 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.871 -8.644 -10.747 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.628 -7.704 -11.565 1.00 0.00 C ATOM 1211 C GLU A 88 -5.420 -6.271 -11.082 1.00 0.00 C ATOM 1212 O GLU A 88 -4.780 -6.036 -10.056 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.118 -8.052 -11.535 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.537 -9.027 -12.622 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.855 -8.337 -13.934 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.010 -7.894 -14.107 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.949 -8.241 -14.788 1.00 0.00 O ATOM 0 H GLU A 88 -4.758 -8.361 -9.774 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.265 -7.780 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.363 -8.478 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.699 -7.135 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.739 -9.752 -12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.412 -9.584 -12.287 1.00 0.00 H new ATOM 1224 N THR A 89 -5.964 -5.316 -11.829 1.00 0.00 N ATOM 1225 CA THR A 89 -5.837 -3.907 -11.479 1.00 0.00 C ATOM 1226 C THR A 89 -7.119 -3.144 -11.794 1.00 0.00 C ATOM 1227 O THR A 89 -7.525 -3.045 -12.952 1.00 0.00 O ATOM 1228 CB THR A 89 -4.664 -3.246 -12.227 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.464 -4.001 -12.021 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.456 -1.815 -11.752 1.00 0.00 C ATOM 0 H THR A 89 -6.497 -5.493 -12.681 1.00 0.00 H new ATOM 0 HA THR A 89 -5.646 -3.864 -10.407 1.00 0.00 H new ATOM 0 HB THR A 89 -4.904 -3.228 -13.290 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.795 -3.438 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.622 -1.369 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.361 -1.235 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.236 -1.814 -10.684 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.752 -2.607 -10.757 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.989 -1.853 -10.923 1.00 0.00 C ATOM 1240 C CYS A 90 -8.757 -0.366 -10.674 1.00 0.00 C ATOM 1241 O CYS A 90 -8.555 0.060 -9.538 1.00 0.00 O ATOM 1242 CB CYS A 90 -10.064 -2.380 -9.971 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.586 -2.347 -8.227 1.00 0.00 S ATOM 0 H CYS A 90 -7.429 -2.680 -9.792 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.329 -1.982 -11.951 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.970 -1.788 -10.100 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.311 -3.404 -10.250 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.322 -2.058 -8.129 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.787 0.420 -11.747 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.577 1.850 -11.624 1.00 0.00 C ATOM 1251 C GLY A 91 -7.373 2.188 -10.767 1.00 0.00 C ATOM 1252 O GLY A 91 -6.270 1.701 -11.015 1.00 0.00 O ATOM 0 H GLY A 91 -8.953 0.091 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.445 2.281 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.467 2.309 -11.192 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.584 3.024 -9.756 1.00 0.00 N ATOM 1257 CA ASP A 92 -6.507 3.427 -8.860 1.00 0.00 C ATOM 1258 C ASP A 92 -6.388 2.461 -7.685 1.00 0.00 C ATOM 1259 O ASP A 92 -6.207 2.878 -6.541 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.748 4.847 -8.345 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.568 5.893 -9.428 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.562 5.818 -10.165 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.433 6.787 -9.539 1.00 0.00 O ATOM 0 H ASP A 92 -8.491 3.436 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.573 3.406 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.758 4.917 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.060 5.055 -7.525 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.492 1.169 -7.976 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.397 0.144 -6.943 1.00 0.00 C ATOM 1270 C TRP A 93 -5.967 -1.192 -7.540 1.00 0.00 C ATOM 1271 O TRP A 93 -6.463 -1.601 -8.590 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.738 -0.013 -6.226 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.132 1.196 -5.431 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.627 2.372 -5.919 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.061 1.347 -4.009 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.868 3.245 -4.886 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.530 2.640 -3.704 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.649 0.516 -2.964 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.596 3.118 -2.398 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.714 0.993 -1.669 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.186 2.283 -1.395 1.00 0.00 C ATOM 0 H TRP A 93 -6.642 0.807 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.642 0.459 -6.222 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.513 -0.223 -6.963 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.688 -0.875 -5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.803 2.584 -6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -9.239 4.190 -4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.286 -0.481 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.958 4.113 -2.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.395 0.360 -0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.227 2.625 -0.371 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.043 -1.866 -6.865 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.545 -3.155 -7.331 1.00 0.00 C ATOM 1294 C TYR A 94 -5.327 -4.302 -6.699 1.00 0.00 C ATOM 1295 O TYR A 94 -6.023 -4.118 -5.701 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.057 -3.298 -7.007 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.158 -2.492 -7.918 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.259 -2.601 -9.299 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.209 -1.621 -7.397 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.439 -1.868 -10.135 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.387 -0.882 -8.225 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.505 -1.010 -9.593 1.00 0.00 C ATOM 1303 OH TYR A 94 0.312 -0.276 -10.423 1.00 0.00 O ATOM 0 H TYR A 94 -4.624 -1.542 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.681 -3.199 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.887 -2.988 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.779 -4.350 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.991 -3.270 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.113 -1.520 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.529 -1.966 -11.207 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.344 -0.208 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 94 0.912 0.280 -9.883 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.206 -5.487 -7.288 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.902 -6.666 -6.784 1.00 0.00 C ATOM 1315 C ARG A 95 -4.918 -7.796 -6.496 1.00 0.00 C ATOM 1316 O ARG A 95 -3.792 -7.795 -6.993 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.953 -7.134 -7.792 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.344 -6.585 -7.521 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.423 -7.568 -7.945 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.589 -8.650 -6.978 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.001 -9.835 -7.092 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.211 -10.090 -8.126 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -9.201 -10.768 -6.170 1.00 0.00 N ATOM 0 H ARG A 95 -4.633 -5.657 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.399 -6.394 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.642 -6.835 -8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.993 -8.223 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.449 -6.364 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.476 -5.645 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.369 -7.039 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.169 -7.988 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.190 -8.486 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.054 -9.375 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.761 -11.001 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.807 -10.575 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.749 -11.678 -6.259 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.352 -8.760 -5.690 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.497 -9.883 -5.350 1.00 0.00 C ATOM 1339 C GLY A 96 -4.625 -10.289 -3.895 1.00 0.00 C ATOM 1340 O GLY A 96 -5.681 -10.116 -3.286 1.00 0.00 O ATOM 0 H GLY A 96 -6.280 -8.784 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.749 -10.733 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.460 -9.623 -5.562 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.549 -10.831 -3.337 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.547 -11.267 -1.945 1.00 0.00 C ATOM 1346 C TYR A 97 -2.126 -11.314 -1.391 1.00 0.00 C ATOM 1347 O TYR A 97 -1.155 -11.120 -2.124 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.201 -12.644 -1.820 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.541 -13.708 -2.667 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.222 -14.083 -2.442 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.235 -14.337 -3.693 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.614 -15.054 -3.214 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.636 -15.311 -4.469 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.325 -15.665 -4.226 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.724 -16.633 -4.998 1.00 0.00 O ATOM 0 H TYR A 97 -2.667 -10.979 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.120 -10.545 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.175 -12.955 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.251 -12.565 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.663 -13.607 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.261 -14.060 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.588 -15.333 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.191 -15.792 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.362 -16.963 -5.665 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.013 -11.574 -0.094 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.711 -11.648 0.561 1.00 0.00 C ATOM 1367 C LEU A 98 -0.032 -12.983 0.274 1.00 0.00 C ATOM 1368 O LEU A 98 -0.518 -14.038 0.682 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.866 -11.455 2.071 1.00 0.00 C ATOM 1370 CG LEU A 98 0.317 -10.806 2.789 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.690 -9.491 2.123 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.007 -10.587 4.260 1.00 0.00 C ATOM 0 H LEU A 98 -2.807 -11.737 0.526 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.085 -10.850 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.752 -10.846 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.051 -12.429 2.525 1.00 0.00 H new ATOM 0 HG LEU A 98 1.172 -11.479 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.534 -9.044 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.965 -9.674 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.161 -8.811 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.846 -10.124 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.876 -9.934 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.224 -11.546 4.731 1.00 0.00 H new ATOM 1384 N ILE A 99 1.094 -12.929 -0.429 1.00 0.00 N ATOM 1385 CA ILE A 99 1.841 -14.134 -0.768 1.00 0.00 C ATOM 1386 C ILE A 99 2.259 -14.893 0.488 1.00 0.00 C ATOM 1387 O ILE A 99 2.141 -16.116 0.555 1.00 0.00 O ATOM 1388 CB ILE A 99 3.097 -13.804 -1.596 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.725 -12.947 -2.808 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.792 -15.083 -2.038 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.923 -12.417 -3.564 1.00 0.00 C ATOM 0 H ILE A 99 1.509 -12.064 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 99 1.177 -14.760 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 99 3.787 -13.237 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.110 -13.539 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.115 -12.107 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.678 -14.833 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.087 -15.659 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.110 -15.675 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.584 -11.819 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.527 -11.798 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.522 -13.252 -3.927 1.00 0.00 H new ATOM 1403 N LYS A 100 2.746 -14.158 1.482 1.00 0.00 N ATOM 1404 CA LYS A 100 3.178 -14.759 2.738 1.00 0.00 C ATOM 1405 C LYS A 100 1.992 -15.344 3.498 1.00 0.00 C ATOM 1406 O LYS A 100 2.166 -16.101 4.453 1.00 0.00 O ATOM 1407 CB LYS A 100 3.892 -13.720 3.605 1.00 0.00 C ATOM 1408 CG LYS A 100 3.118 -12.422 3.760 1.00 0.00 C ATOM 1409 CD LYS A 100 3.736 -11.528 4.822 1.00 0.00 C ATOM 1410 CE LYS A 100 4.985 -10.830 4.305 1.00 0.00 C ATOM 1411 NZ LYS A 100 6.196 -11.686 4.441 1.00 0.00 N ATOM 0 H LYS A 100 2.851 -13.144 1.442 1.00 0.00 H new ATOM 0 HA LYS A 100 3.871 -15.567 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.073 -14.145 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.867 -13.502 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.096 -11.894 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.084 -12.643 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.007 -10.783 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.988 -12.124 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.845 -10.563 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.134 -9.900 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.984 -11.116 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.997 -12.467 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.453 -12.074 3.511 1.00 0.00 H new ATOM 1425 N HIS A 101 0.786 -14.988 3.067 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.430 -15.480 3.707 1.00 0.00 C ATOM 1427 C HIS A 101 -1.616 -15.403 2.751 1.00 0.00 C ATOM 1428 O HIS A 101 -2.146 -14.323 2.487 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.727 -14.675 4.972 1.00 0.00 C ATOM 1430 CG HIS A 101 0.256 -14.911 6.077 1.00 0.00 C ATOM 1431 ND1 HIS A 101 1.364 -14.222 6.439 1.00 0.00 N flip ATOM 1432 CD2 HIS A 101 0.158 -15.966 6.960 1.00 0.00 C flip ATOM 1433 CE1 HIS A 101 1.908 -14.866 7.523 1.00 0.00 C flip ATOM 1434 NE2 HIS A 101 1.161 -15.914 7.818 1.00 0.00 N flip ATOM 0 H HIS A 101 0.624 -14.362 2.278 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.272 -16.524 3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.734 -13.614 4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.727 -14.926 5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.618 -16.717 6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.802 -14.564 8.049 1.00 0.00 H new ATOM 0 HE2 HIS A 101 1.330 -16.572 8.579 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.029 -16.555 2.233 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.152 -16.620 1.307 1.00 0.00 C ATOM 1445 C LYS A 102 -4.478 -16.642 2.060 1.00 0.00 C ATOM 1446 O LYS A 102 -5.538 -16.838 1.465 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.037 -17.861 0.419 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.020 -17.717 -0.699 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.401 -18.551 -1.911 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.180 -18.924 -2.737 1.00 0.00 C ATOM 1451 NZ LYS A 102 -0.240 -19.795 -1.978 1.00 0.00 N ATOM 0 H LYS A 102 -1.601 -17.458 2.440 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.125 -15.729 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.765 -18.716 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.013 -18.079 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.941 -16.669 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.037 -18.023 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.911 -19.457 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.104 -17.994 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.499 -19.438 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.662 -18.017 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.289 -20.396 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.426 -19.203 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.777 -20.395 -1.320 1.00 0.00 H new ATOM 1465 N MET A 103 -4.412 -16.437 3.372 1.00 0.00 N ATOM 1466 CA MET A 103 -5.609 -16.431 4.205 1.00 0.00 C ATOM 1467 C MET A 103 -6.342 -15.099 4.093 1.00 0.00 C ATOM 1468 O MET A 103 -7.464 -14.953 4.580 1.00 0.00 O ATOM 1469 CB MET A 103 -5.241 -16.703 5.665 1.00 0.00 C ATOM 1470 CG MET A 103 -4.541 -18.035 5.877 1.00 0.00 C ATOM 1471 SD MET A 103 -2.750 -17.915 5.703 1.00 0.00 S ATOM 1472 CE MET A 103 -2.439 -19.210 4.506 1.00 0.00 C ATOM 0 H MET A 103 -3.543 -16.273 3.880 1.00 0.00 H new ATOM 0 HA MET A 103 -6.272 -17.221 3.852 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.595 -15.901 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.147 -16.678 6.270 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.781 -18.413 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.924 -18.760 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.371 -19.261 4.294 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.775 -20.166 4.908 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.982 -18.993 3.586 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.703 -14.128 3.449 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.295 -12.807 3.274 1.00 0.00 C ATOM 1484 C LEU A 104 -6.174 -12.344 1.825 1.00 0.00 C ATOM 1485 O LEU A 104 -5.096 -12.400 1.235 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.619 -11.796 4.202 1.00 0.00 C ATOM 1487 CG LEU A 104 -5.077 -12.352 5.519 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.685 -12.932 5.320 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -5.057 -11.269 6.588 1.00 0.00 C ATOM 0 H LEU A 104 -4.775 -14.231 3.039 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.353 -12.874 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.795 -11.330 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.336 -11.007 4.431 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.738 -13.152 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.315 -13.323 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.728 -13.738 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.013 -12.152 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.668 -11.683 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.419 -10.448 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.069 -10.899 6.750 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.287 -11.886 1.261 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.304 -11.413 -0.118 1.00 0.00 C ATOM 1503 C GLN A 105 -8.238 -10.216 -0.271 1.00 0.00 C ATOM 1504 O GLN A 105 -9.207 -10.073 0.474 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.739 -12.537 -1.060 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.134 -13.888 -0.715 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.602 -14.991 -1.643 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.797 -15.271 -1.739 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -6.660 -15.626 -2.331 1.00 0.00 N ATOM 0 H GLN A 105 -8.188 -11.833 1.737 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.294 -11.099 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.826 -12.618 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.460 -12.273 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.047 -13.817 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.394 -14.147 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.681 -15.361 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.915 -16.379 -2.970 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.938 -9.358 -1.241 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.760 -8.185 -1.474 1.00 0.00 C ATOM 1520 C GLY A 106 -8.106 -7.196 -2.418 1.00 0.00 C ATOM 1521 O GLY A 106 -7.416 -7.591 -3.360 1.00 0.00 O ATOM 0 H GLY A 106 -7.140 -9.454 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.721 -8.494 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.964 -7.694 -0.523 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.322 -5.909 -2.169 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.749 -4.863 -3.005 1.00 0.00 C ATOM 1527 C ILE A 107 -6.938 -3.876 -2.172 1.00 0.00 C ATOM 1528 O ILE A 107 -7.182 -3.708 -0.977 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.840 -4.093 -3.773 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.882 -3.537 -2.800 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.500 -4.997 -4.804 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.831 -2.545 -3.434 1.00 0.00 C ATOM 0 H ILE A 107 -8.890 -5.566 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.092 -5.357 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.375 -3.257 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.458 -4.364 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.369 -3.056 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.269 -4.439 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.750 -5.350 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.955 -5.851 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.542 -2.193 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.265 -1.699 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.371 -3.028 -4.249 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.972 -3.224 -2.811 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.125 -2.252 -2.130 1.00 0.00 C ATOM 1546 C PHE A 108 -4.759 -1.101 -3.062 1.00 0.00 C ATOM 1547 O PHE A 108 -4.839 -1.210 -4.286 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.853 -2.928 -1.612 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.418 -4.102 -2.440 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.950 -5.361 -2.215 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.477 -3.947 -3.445 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.551 -6.444 -2.976 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.073 -5.026 -4.210 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.612 -6.276 -3.975 1.00 0.00 C ATOM 0 H PHE A 108 -5.756 -3.351 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.684 -1.848 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.047 -2.195 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.019 -3.258 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.685 -5.498 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.054 -2.971 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.973 -7.420 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.338 -4.892 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.300 -7.121 -4.571 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.348 0.030 -2.471 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.961 1.224 -3.229 1.00 0.00 C ATOM 1566 C PRO A 109 -2.653 1.030 -3.988 1.00 0.00 C ATOM 1567 O PRO A 109 -1.724 0.393 -3.493 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.797 2.294 -2.146 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.481 1.532 -0.905 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.228 0.231 -1.017 1.00 0.00 C ATOM 0 HA PRO A 109 -4.697 1.479 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.998 2.992 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.708 2.881 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.408 1.360 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.791 2.085 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.685 -0.586 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.205 0.286 -0.537 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.588 1.584 -5.194 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.393 1.474 -6.023 1.00 0.00 C ATOM 1580 C LYS A 110 -0.273 2.359 -5.484 1.00 0.00 C ATOM 1581 O LYS A 110 0.901 2.142 -5.784 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.713 1.862 -7.469 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.881 1.093 -8.061 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.472 1.813 -9.261 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.486 1.869 -10.418 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.516 0.623 -11.234 1.00 0.00 N ATOM 0 H LYS A 110 -3.349 2.114 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.057 0.437 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.933 2.929 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.829 1.695 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.549 0.099 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.651 0.957 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.381 1.304 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.757 2.825 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.719 2.724 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.479 2.025 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.830 0.701 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.269 -0.190 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.470 0.487 -11.626 1.00 0.00 H new ATOM 1600 N SER A 111 -0.644 3.354 -4.686 1.00 0.00 N ATOM 1601 CA SER A 111 0.329 4.273 -4.107 1.00 0.00 C ATOM 1602 C SER A 111 1.088 3.609 -2.962 1.00 0.00 C ATOM 1603 O SER A 111 2.029 4.181 -2.411 1.00 0.00 O ATOM 1604 CB SER A 111 -0.368 5.539 -3.604 1.00 0.00 C ATOM 1605 OG SER A 111 -0.945 6.263 -4.677 1.00 0.00 O ATOM 0 H SER A 111 -1.611 3.545 -4.425 1.00 0.00 H new ATOM 0 HA SER A 111 1.042 4.545 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.141 5.271 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.350 6.170 -3.080 1.00 0.00 H new ATOM 0 HG SER A 111 -1.386 7.067 -4.330 1.00 0.00 H new ATOM 1611 N PHE A 112 0.672 2.397 -2.609 1.00 0.00 N ATOM 1612 CA PHE A 112 1.312 1.654 -1.529 1.00 0.00 C ATOM 1613 C PHE A 112 2.063 0.443 -2.073 1.00 0.00 C ATOM 1614 O PHE A 112 2.844 -0.188 -1.360 1.00 0.00 O ATOM 1615 CB PHE A 112 0.268 1.203 -0.505 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.361 2.339 0.250 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -1.054 3.334 -0.420 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.259 2.412 1.630 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.633 4.381 0.272 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.837 3.456 2.328 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.525 4.441 1.647 1.00 0.00 C ATOM 0 H PHE A 112 -0.105 1.909 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 112 2.029 2.315 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.513 0.641 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.737 0.521 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.143 3.291 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.278 1.644 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.169 5.151 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.751 3.501 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.978 5.257 2.190 1.00 0.00 H new ATOM 1631 N ILE A 113 1.820 0.123 -3.340 1.00 0.00 N ATOM 1632 CA ILE A 113 2.474 -1.011 -3.980 1.00 0.00 C ATOM 1633 C ILE A 113 3.639 -0.555 -4.852 1.00 0.00 C ATOM 1634 O ILE A 113 3.514 0.395 -5.626 1.00 0.00 O ATOM 1635 CB ILE A 113 1.486 -1.816 -4.844 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.341 -2.354 -3.982 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.205 -2.956 -5.550 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.808 -3.200 -2.818 1.00 0.00 C ATOM 0 H ILE A 113 1.175 0.633 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 113 2.850 -1.650 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 113 1.066 -1.154 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.241 -1.515 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.326 -2.947 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.493 -3.515 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.988 -2.551 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.650 -3.620 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.056 -3.547 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.365 -4.059 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.451 -2.604 -2.170 1.00 0.00 H new ATOM 1650 N HIS A 114 4.772 -1.238 -4.722 1.00 0.00 N ATOM 1651 CA HIS A 114 5.960 -0.905 -5.500 1.00 0.00 C ATOM 1652 C HIS A 114 6.300 -2.024 -6.479 1.00 0.00 C ATOM 1653 O HIS A 114 6.858 -3.051 -6.092 1.00 0.00 O ATOM 1654 CB HIS A 114 7.146 -0.645 -4.572 1.00 0.00 C ATOM 1655 CG HIS A 114 8.381 -0.194 -5.290 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.439 0.968 -6.030 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.609 -0.756 -5.377 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.649 1.101 -6.542 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.379 0.068 -6.161 1.00 0.00 N ATOM 0 H HIS A 114 4.892 -2.026 -4.085 1.00 0.00 H new ATOM 0 HA HIS A 114 5.749 -0.000 -6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.865 0.112 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.370 -1.557 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.925 -1.680 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.985 1.916 -7.166 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.355 -0.092 -6.409 1.00 0.00 H new ATOM 1668 N ILE A 115 5.959 -1.819 -7.747 1.00 0.00 N ATOM 1669 CA ILE A 115 6.229 -2.811 -8.780 1.00 0.00 C ATOM 1670 C ILE A 115 7.728 -3.008 -8.974 1.00 0.00 C ATOM 1671 O ILE A 115 8.400 -2.181 -9.591 1.00 0.00 O ATOM 1672 CB ILE A 115 5.597 -2.408 -10.126 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.112 -2.089 -9.941 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.783 -3.516 -11.151 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.269 -3.302 -9.617 1.00 0.00 C ATOM 0 H ILE A 115 5.495 -0.975 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 115 5.782 -3.747 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 115 6.099 -1.513 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.003 -1.357 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.732 -1.625 -10.851 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.331 -3.216 -12.097 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.847 -3.700 -11.299 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.304 -4.427 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.228 -3.001 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.348 -4.027 -10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.623 -3.754 -8.690 1.00 0.00 H new ATOM 1687 N LYS A 116 8.248 -4.111 -8.446 1.00 0.00 N ATOM 1688 CA LYS A 116 9.668 -4.421 -8.562 1.00 0.00 C ATOM 1689 C LYS A 116 10.107 -4.414 -10.023 1.00 0.00 C ATOM 1690 O LYS A 116 9.499 -5.072 -10.866 1.00 0.00 O ATOM 1691 CB LYS A 116 9.966 -5.784 -7.935 1.00 0.00 C ATOM 1692 CG LYS A 116 9.502 -5.905 -6.494 1.00 0.00 C ATOM 1693 CD LYS A 116 10.587 -5.476 -5.520 1.00 0.00 C ATOM 1694 CE LYS A 116 11.643 -6.558 -5.350 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.967 -5.986 -4.979 1.00 0.00 N ATOM 0 H LYS A 116 7.706 -4.806 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 116 10.228 -3.653 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.485 -6.561 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.039 -5.968 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.614 -5.291 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.215 -6.936 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.057 -4.560 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.140 -5.248 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.323 -7.261 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.738 -7.122 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.660 -6.754 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.285 -5.334 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.882 -5.469 -4.081 1.00 0.00 H new