USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 585 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 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.845 F(o=-1.9!,f=-0.84) USER MOD Single : A 91 THR OG1 : rot -140:sc= -0.128 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -110:sc= -2.06! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 124 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.5) USER MOD Single : A 125 MET CE :methyl 170:sc= -0.0101 (180deg=-0.273) USER MOD Single : A 126 ASN : amide:sc= -0.0399 X(o=-0.04,f=-0.25) USER MOD Single : A 128 SER OG : rot -130:sc= -0.112 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.551 -4.021 11.835 1.00 0.00 N ATOM 883 CA ARG A 64 -6.849 -4.374 10.440 1.00 0.00 C ATOM 884 C ARG A 64 -5.981 -3.582 9.446 1.00 0.00 C ATOM 885 O ARG A 64 -6.055 -3.809 8.233 1.00 0.00 O ATOM 886 CB ARG A 64 -8.338 -4.151 10.148 1.00 0.00 C ATOM 887 CG ARG A 64 -9.260 -5.144 10.844 1.00 0.00 C ATOM 888 CD ARG A 64 -10.720 -4.866 10.535 1.00 0.00 C ATOM 889 NE ARG A 64 -11.620 -5.727 11.311 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.319 -5.331 12.386 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.243 -4.080 12.836 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.101 -6.199 13.012 1.00 0.00 N ATOM 0 HA ARG A 64 -6.610 -5.429 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.611 -3.141 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.500 -4.213 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.008 -6.157 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.100 -5.096 11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.943 -3.821 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.901 -5.018 9.471 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.722 -6.697 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.645 -3.403 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.782 -3.799 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.168 -7.160 12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.636 -5.906 13.830 1.00 0.00 H new ATOM 906 N VAL A 65 -5.157 -2.663 9.971 1.00 0.00 N ATOM 907 CA VAL A 65 -4.263 -1.845 9.140 1.00 0.00 C ATOM 908 C VAL A 65 -2.819 -2.315 9.339 1.00 0.00 C ATOM 909 O VAL A 65 -2.351 -2.441 10.475 1.00 0.00 O ATOM 910 CB VAL A 65 -4.381 -0.322 9.470 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.594 0.529 8.474 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.841 0.127 9.491 1.00 0.00 C ATOM 0 H VAL A 65 -5.092 -2.468 10.970 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.560 -1.972 8.099 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.954 -0.177 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.698 1.583 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.541 0.249 8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.981 0.363 7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.891 1.191 9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.291 -0.053 8.515 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.384 -0.436 10.250 1.00 0.00 H new ATOM 922 N LEU A 66 -2.127 -2.570 8.224 1.00 0.00 N ATOM 923 CA LEU A 66 -0.739 -3.049 8.256 1.00 0.00 C ATOM 924 C LEU A 66 0.178 -2.112 7.466 1.00 0.00 C ATOM 925 O LEU A 66 -0.279 -1.384 6.580 1.00 0.00 O ATOM 926 CB LEU A 66 -0.631 -4.488 7.695 1.00 0.00 C ATOM 927 CG LEU A 66 -1.913 -5.345 7.709 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.731 -6.575 6.836 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.291 -5.758 9.128 1.00 0.00 C ATOM 0 H LEU A 66 -2.506 -2.453 7.284 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.419 -3.059 9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.278 -4.424 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.135 -5.016 8.263 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.726 -4.739 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.643 -7.172 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.519 -6.266 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.900 -7.170 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.199 -6.361 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.481 -6.341 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.464 -4.867 9.732 1.00 0.00 H new ATOM 941 N TYR A 67 1.473 -2.145 7.799 1.00 0.00 N ATOM 942 CA TYR A 67 2.489 -1.335 7.123 1.00 0.00 C ATOM 943 C TYR A 67 3.114 -2.135 5.985 1.00 0.00 C ATOM 944 O TYR A 67 3.495 -3.286 6.176 1.00 0.00 O ATOM 945 CB TYR A 67 3.579 -0.895 8.131 1.00 0.00 C ATOM 946 CG TYR A 67 4.834 -0.273 7.513 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.922 -1.071 7.154 1.00 0.00 C ATOM 948 CD2 TYR A 67 4.927 1.095 7.285 1.00 0.00 C ATOM 949 CE1 TYR A 67 7.061 -0.525 6.588 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.066 1.650 6.720 1.00 0.00 C ATOM 951 CZ TYR A 67 7.126 0.836 6.374 1.00 0.00 C ATOM 952 OH TYR A 67 8.256 1.387 5.812 1.00 0.00 O ATOM 0 H TYR A 67 1.845 -2.734 8.544 1.00 0.00 H new ATOM 0 HA TYR A 67 2.017 -0.443 6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.141 -0.176 8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.877 -1.763 8.720 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.874 -2.137 7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.100 1.736 7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.892 -1.159 6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.123 2.715 6.551 1.00 0.00 H new ATOM 0 HH TYR A 67 8.140 2.357 5.728 1.00 0.00 H new ATOM 962 N VAL A 68 3.198 -1.517 4.812 1.00 0.00 N ATOM 963 CA VAL A 68 3.820 -2.151 3.653 1.00 0.00 C ATOM 964 C VAL A 68 4.759 -1.161 2.972 1.00 0.00 C ATOM 965 O VAL A 68 4.318 -0.139 2.438 1.00 0.00 O ATOM 966 CB VAL A 68 2.789 -2.724 2.631 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.313 -4.093 3.087 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.591 -1.799 2.415 1.00 0.00 C ATOM 0 H VAL A 68 2.843 -0.577 4.638 1.00 0.00 H new ATOM 0 HA VAL A 68 4.384 -3.008 4.021 1.00 0.00 H new ATOM 0 HB VAL A 68 3.303 -2.808 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.594 -4.486 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.164 -4.770 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.839 -4.006 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.908 -2.250 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.072 -1.649 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.937 -0.838 2.034 1.00 0.00 H new ATOM 978 N GLY A 69 6.053 -1.482 3.002 1.00 0.00 N ATOM 979 CA GLY A 69 7.060 -0.620 2.407 1.00 0.00 C ATOM 980 C GLY A 69 8.098 -1.392 1.629 1.00 0.00 C ATOM 981 O GLY A 69 8.244 -2.601 1.811 1.00 0.00 O ATOM 0 H GLY A 69 6.422 -2.330 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.574 0.097 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.552 -0.046 3.192 1.00 0.00 H new ATOM 985 N GLY A 70 8.821 -0.681 0.763 1.00 0.00 N ATOM 986 CA GLY A 70 9.848 -1.302 -0.062 1.00 0.00 C ATOM 987 C GLY A 70 9.306 -1.677 -1.428 1.00 0.00 C ATOM 988 O GLY A 70 9.724 -2.675 -2.019 1.00 0.00 O ATOM 0 H GLY A 70 8.712 0.323 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.688 -0.617 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.229 -2.193 0.437 1.00 0.00 H new ATOM 992 N LEU A 71 8.365 -0.860 -1.910 1.00 0.00 N ATOM 993 CA LEU A 71 7.712 -1.070 -3.200 1.00 0.00 C ATOM 994 C LEU A 71 8.452 -0.346 -4.328 1.00 0.00 C ATOM 995 O LEU A 71 9.287 0.530 -4.080 1.00 0.00 O ATOM 996 CB LEU A 71 6.254 -0.595 -3.151 1.00 0.00 C ATOM 997 CG LEU A 71 5.401 -1.137 -2.001 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.387 -0.146 -0.862 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.985 -1.426 -2.474 1.00 0.00 C ATOM 0 H LEU A 71 8.035 -0.032 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 71 7.735 -2.140 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.251 0.494 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.774 -0.868 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 71 5.838 -2.072 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.778 -0.537 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.405 0.017 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.967 0.799 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.395 -1.810 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.531 -0.508 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.012 -2.167 -3.272 1.00 0.00 H new ATOM 1011 N ALA A 72 8.123 -0.730 -5.565 1.00 0.00 N ATOM 1012 CA ALA A 72 8.732 -0.154 -6.770 1.00 0.00 C ATOM 1013 C ALA A 72 8.026 1.139 -7.198 1.00 0.00 C ATOM 1014 O ALA A 72 6.920 1.427 -6.750 1.00 0.00 O ATOM 1015 CB ALA A 72 8.709 -1.174 -7.901 1.00 0.00 C ATOM 0 H ALA A 72 7.427 -1.449 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 72 9.766 0.101 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.162 -0.740 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.270 -2.060 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.678 -1.453 -8.118 1.00 0.00 H new ATOM 1021 N GLU A 73 8.692 1.925 -8.056 1.00 0.00 N ATOM 1022 CA GLU A 73 8.146 3.202 -8.561 1.00 0.00 C ATOM 1023 C GLU A 73 6.954 2.988 -9.500 1.00 0.00 C ATOM 1024 O GLU A 73 6.003 3.774 -9.496 1.00 0.00 O ATOM 1025 CB GLU A 73 9.239 3.985 -9.289 1.00 0.00 C ATOM 1026 CG GLU A 73 10.403 4.345 -8.390 1.00 0.00 C ATOM 1027 CD GLU A 73 11.565 4.960 -9.145 1.00 0.00 C ATOM 1028 OE1 GLU A 73 12.448 4.201 -9.598 1.00 0.00 O ATOM 1029 OE2 GLU A 73 11.592 6.201 -9.286 1.00 0.00 O ATOM 0 H GLU A 73 9.618 1.700 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 73 7.793 3.769 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.604 3.394 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.811 4.898 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.062 5.044 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.746 3.449 -7.873 1.00 0.00 H new ATOM 1036 N GLU A 74 7.028 1.915 -10.298 1.00 0.00 N ATOM 1037 CA GLU A 74 5.974 1.560 -11.258 1.00 0.00 C ATOM 1038 C GLU A 74 4.737 0.962 -10.568 1.00 0.00 C ATOM 1039 O GLU A 74 3.689 0.803 -11.203 1.00 0.00 O ATOM 1040 CB GLU A 74 6.516 0.573 -12.299 1.00 0.00 C ATOM 1041 CG GLU A 74 7.515 1.185 -13.272 1.00 0.00 C ATOM 1042 CD GLU A 74 7.971 0.204 -14.334 1.00 0.00 C ATOM 1043 OE1 GLU A 74 7.321 0.139 -15.399 1.00 0.00 O ATOM 1044 OE2 GLU A 74 8.976 -0.500 -14.101 1.00 0.00 O ATOM 0 H GLU A 74 7.818 1.270 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 74 5.664 2.481 -11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.992 -0.260 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.680 0.161 -12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.063 2.052 -13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.382 1.544 -12.718 1.00 0.00 H new ATOM 1051 N VAL A 75 4.864 0.641 -9.266 1.00 0.00 N ATOM 1052 CA VAL A 75 3.756 0.055 -8.495 1.00 0.00 C ATOM 1053 C VAL A 75 2.676 1.109 -8.158 1.00 0.00 C ATOM 1054 O VAL A 75 2.995 2.258 -7.835 1.00 0.00 O ATOM 1055 CB VAL A 75 4.289 -0.669 -7.213 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.442 0.267 -6.018 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.404 -1.847 -6.839 1.00 0.00 C ATOM 0 H VAL A 75 5.721 0.778 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 75 3.275 -0.697 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 75 5.284 -1.033 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.815 -0.295 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.146 1.061 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.474 0.704 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.799 -2.330 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.392 -1.494 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.386 -2.563 -7.660 1.00 0.00 H new ATOM 1067 N ASP A 76 1.410 0.690 -8.249 1.00 0.00 N ATOM 1068 CA ASP A 76 0.261 1.566 -7.982 1.00 0.00 C ATOM 1069 C ASP A 76 -0.689 0.942 -6.944 1.00 0.00 C ATOM 1070 O ASP A 76 -0.449 -0.168 -6.461 1.00 0.00 O ATOM 1071 CB ASP A 76 -0.494 1.859 -9.294 1.00 0.00 C ATOM 1072 CG ASP A 76 0.330 2.652 -10.301 1.00 0.00 C ATOM 1073 OD1 ASP A 76 1.079 3.563 -9.883 1.00 0.00 O ATOM 1074 OD2 ASP A 76 0.224 2.359 -11.511 1.00 0.00 O ATOM 0 H ASP A 76 1.152 -0.262 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 76 0.636 2.502 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.799 0.916 -9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.405 2.412 -9.065 1.00 0.00 H new ATOM 1079 N ASP A 77 -1.771 1.674 -6.610 1.00 0.00 N ATOM 1080 CA ASP A 77 -2.778 1.238 -5.622 1.00 0.00 C ATOM 1081 C ASP A 77 -3.508 -0.050 -6.047 1.00 0.00 C ATOM 1082 O ASP A 77 -3.837 -0.888 -5.201 1.00 0.00 O ATOM 1083 CB ASP A 77 -3.803 2.357 -5.405 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.423 2.341 -4.020 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.870 2.994 -3.113 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -5.466 1.676 -3.846 1.00 0.00 O ATOM 0 H ASP A 77 -1.971 2.587 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.247 1.020 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.319 3.320 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.593 2.267 -6.151 1.00 0.00 H new ATOM 1091 N LYS A 78 -3.752 -0.196 -7.361 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.459 -1.368 -7.920 1.00 0.00 C ATOM 1093 C LYS A 78 -3.644 -2.647 -7.720 1.00 0.00 C ATOM 1094 O LYS A 78 -4.197 -3.726 -7.491 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.740 -1.166 -9.424 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.474 0.131 -9.780 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.934 0.126 -9.337 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.608 1.451 -9.653 1.00 0.00 C ATOM 1099 NZ LYS A 78 -8.037 1.533 -11.077 1.00 0.00 N ATOM 0 H LYS A 78 -3.468 0.488 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.405 -1.468 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.792 -1.188 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.329 -2.009 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.961 0.973 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.427 0.285 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.466 -0.684 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.991 -0.068 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.475 1.580 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.921 2.269 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.492 2.452 -11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.207 1.435 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.712 0.769 -11.281 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.322 -2.487 -7.814 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.350 -3.565 -7.648 1.00 0.00 C ATOM 1115 C VAL A 79 -1.332 -4.098 -6.204 1.00 0.00 C ATOM 1116 O VAL A 79 -1.227 -5.308 -5.986 1.00 0.00 O ATOM 1117 CB VAL A 79 0.072 -3.076 -8.038 1.00 0.00 C ATOM 1118 CG1 VAL A 79 0.893 -4.202 -8.615 1.00 0.00 C ATOM 1119 CG2 VAL A 79 0.019 -1.928 -9.041 1.00 0.00 C ATOM 0 H VAL A 79 -1.890 -1.584 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.651 -4.378 -8.308 1.00 0.00 H new ATOM 0 HB VAL A 79 0.543 -2.718 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.884 -3.832 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.988 -4.998 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.401 -4.591 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.033 -1.614 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.490 -2.259 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.524 -1.089 -8.606 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.445 -3.177 -5.231 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.434 -3.524 -3.801 1.00 0.00 C ATOM 1131 C LEU A 80 -2.680 -4.314 -3.385 1.00 0.00 C ATOM 1132 O LEU A 80 -2.590 -5.228 -2.561 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.322 -2.250 -2.953 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.278 -2.293 -1.830 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.286 -0.905 -1.580 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -0.881 -2.858 -0.549 1.00 0.00 C ATOM 0 H LEU A 80 -1.546 -2.178 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.567 -4.163 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.086 -1.415 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.297 -2.042 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 80 0.533 -2.950 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.025 -0.951 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.758 -0.535 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.520 -0.231 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.121 -2.878 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.713 -2.230 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.241 -3.871 -0.732 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.836 -3.954 -3.964 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.112 -4.621 -3.667 1.00 0.00 C ATOM 1150 C HIS A 81 -5.131 -6.068 -4.201 1.00 0.00 C ATOM 1151 O HIS A 81 -5.460 -7.004 -3.467 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.271 -3.807 -4.269 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.615 -4.102 -3.668 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.589 -4.958 -4.055 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -8.086 -3.477 -2.532 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.620 -4.835 -3.157 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -9.292 -3.936 -2.248 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.912 -3.199 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.230 -4.672 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -6.056 -2.746 -4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.316 -4.000 -5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.552 -2.729 -1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.549 -5.385 -3.189 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.871 -3.645 -1.460 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.756 -6.228 -5.479 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.731 -7.537 -6.150 1.00 0.00 C ATOM 1168 C ALA A 82 -3.610 -8.462 -5.647 1.00 0.00 C ATOM 1169 O ALA A 82 -3.695 -9.682 -5.819 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.605 -7.342 -7.653 1.00 0.00 C ATOM 0 H ALA A 82 -4.462 -5.455 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.672 -8.030 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.587 -8.314 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.456 -6.766 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.682 -6.806 -7.874 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.568 -7.880 -5.030 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.423 -8.652 -4.533 1.00 0.00 C ATOM 1178 C ALA A 83 -1.691 -9.207 -3.139 1.00 0.00 C ATOM 1179 O ALA A 83 -1.241 -10.304 -2.796 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.169 -7.788 -4.525 1.00 0.00 C ATOM 0 H ALA A 83 -2.498 -6.876 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.270 -9.496 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.673 -8.372 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.044 -7.447 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.325 -6.926 -3.877 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.430 -8.425 -2.354 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.779 -8.791 -0.989 1.00 0.00 C ATOM 1188 C PHE A 84 -4.190 -9.386 -0.892 1.00 0.00 C ATOM 1189 O PHE A 84 -4.627 -9.781 0.195 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.657 -7.561 -0.092 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.239 -7.165 0.214 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.584 -7.683 1.319 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.561 -6.275 -0.606 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.719 -7.322 1.602 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.742 -5.910 -0.327 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.384 -6.435 0.777 1.00 0.00 C ATOM 0 H PHE A 84 -2.802 -7.522 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.086 -9.564 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.162 -6.723 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.180 -7.754 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.098 -8.377 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.057 -5.863 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.218 -7.733 2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.258 -5.214 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.403 -6.153 0.995 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.897 -9.458 -2.035 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.260 -10.007 -2.092 1.00 0.00 C ATOM 1208 C ILE A 85 -6.328 -11.551 -1.845 1.00 0.00 C ATOM 1209 O ILE A 85 -7.333 -12.011 -1.295 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.992 -9.588 -3.421 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.518 -9.767 -3.303 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.470 -10.335 -4.649 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.231 -8.610 -2.628 1.00 0.00 C ATOM 0 H ILE A 85 -4.541 -9.140 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.799 -9.560 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.769 -8.531 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.935 -9.903 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.723 -10.681 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.013 -10.004 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.407 -10.128 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.617 -11.406 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.300 -8.816 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.845 -8.485 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.060 -7.696 -3.197 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.294 -12.388 -2.233 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.341 -13.855 -2.002 1.00 0.00 C ATOM 1227 C PRO A 86 -5.474 -14.248 -0.523 1.00 0.00 C ATOM 1228 O PRO A 86 -5.954 -15.342 -0.212 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.001 -14.360 -2.553 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.563 -13.312 -3.512 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.032 -12.014 -2.927 1.00 0.00 C ATOM 0 HA PRO A 86 -6.219 -14.287 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.271 -14.495 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.115 -15.325 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.480 -13.319 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.996 -13.477 -4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.301 -11.597 -2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.204 -11.264 -3.699 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.046 -13.349 0.381 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.109 -13.599 1.834 1.00 0.00 C ATOM 1241 C PHE A 87 -6.523 -13.392 2.391 1.00 0.00 C ATOM 1242 O PHE A 87 -6.916 -14.058 3.354 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.131 -12.686 2.595 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.708 -12.737 2.100 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.894 -13.827 2.376 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.184 -11.688 1.358 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.592 -13.869 1.920 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.881 -11.727 0.901 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.084 -12.817 1.183 1.00 0.00 C ATOM 0 H PHE A 87 -4.652 -12.442 0.132 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.826 -14.641 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.488 -11.658 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.145 -12.961 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.284 -14.652 2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.802 -10.831 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.030 -14.724 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.486 -10.904 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.936 -12.848 0.828 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.272 -12.467 1.777 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.628 -12.176 2.221 1.00 0.00 C ATOM 1261 C GLY A 88 -9.198 -10.922 1.584 1.00 0.00 C ATOM 1262 O GLY A 88 -8.689 -10.449 0.564 1.00 0.00 O ATOM 0 H GLY A 88 -6.959 -11.915 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.272 -13.023 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.634 -12.063 3.305 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.265 -10.390 2.196 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.937 -9.180 1.708 1.00 0.00 C ATOM 1268 C ASP A 89 -10.214 -7.910 2.159 1.00 0.00 C ATOM 1269 O ASP A 89 -9.793 -7.803 3.314 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.392 -9.144 2.198 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.266 -10.220 1.569 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.142 -10.457 0.346 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.076 -10.825 2.302 1.00 0.00 O ATOM 0 H ASP A 89 -10.684 -10.784 3.038 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.918 -9.214 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.406 -9.262 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.818 -8.165 1.978 1.00 0.00 H new ATOM 1278 N ILE A 90 -10.079 -6.959 1.231 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.419 -5.679 1.506 1.00 0.00 C ATOM 1280 C ILE A 90 -10.428 -4.539 1.369 1.00 0.00 C ATOM 1281 O ILE A 90 -11.260 -4.543 0.457 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.194 -5.437 0.568 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.193 -6.598 0.686 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.492 -4.112 0.897 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.453 -6.904 -0.598 1.00 0.00 C ATOM 0 H ILE A 90 -10.421 -7.053 0.275 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.040 -5.711 2.527 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.566 -5.383 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.467 -6.361 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.726 -7.493 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.644 -3.973 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.193 -3.287 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.140 -4.133 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.766 -7.734 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.168 -7.174 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.890 -6.025 -0.912 1.00 0.00 H new ATOM 1297 N THR A 91 -10.339 -3.571 2.285 1.00 0.00 N ATOM 1298 CA THR A 91 -11.246 -2.425 2.294 1.00 0.00 C ATOM 1299 C THR A 91 -10.685 -1.228 1.518 1.00 0.00 C ATOM 1300 O THR A 91 -11.296 -0.790 0.539 1.00 0.00 O ATOM 1301 CB THR A 91 -11.594 -1.986 3.736 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.437 -2.082 4.576 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.713 -2.844 4.309 1.00 0.00 C ATOM 0 H THR A 91 -9.644 -3.560 3.032 1.00 0.00 H new ATOM 0 HA THR A 91 -12.155 -2.760 1.793 1.00 0.00 H new ATOM 0 HB THR A 91 -11.931 -0.950 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.698 -2.431 5.454 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.940 -2.516 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.603 -2.744 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.399 -3.888 4.327 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.522 -0.700 1.952 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.909 0.469 1.296 1.00 0.00 C ATOM 1313 C ASP A 92 -7.378 0.424 1.312 1.00 0.00 C ATOM 1314 O ASP A 92 -6.770 -0.185 2.197 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.371 1.768 1.984 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.848 2.073 1.778 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.344 1.907 0.642 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.509 2.478 2.758 1.00 0.00 O ATOM 0 H ASP A 92 -8.994 -1.062 2.746 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.236 0.445 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.169 1.695 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.780 2.601 1.604 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.778 1.085 0.310 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.321 1.205 0.184 1.00 0.00 C ATOM 1325 C ILE A 93 -4.959 2.696 0.216 1.00 0.00 C ATOM 1326 O ILE A 93 -5.405 3.459 -0.646 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.774 0.551 -1.143 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -5.186 -0.940 -1.307 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.248 0.678 -1.254 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -5.038 -1.816 -0.066 1.00 0.00 C ATOM 0 H ILE A 93 -7.293 1.552 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.858 0.669 1.013 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.240 1.113 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.226 -0.975 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.588 -1.375 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.911 0.215 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.970 1.732 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.779 0.177 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.354 -2.833 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.995 -1.824 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.659 -1.418 0.737 1.00 0.00 H new ATOM 1342 N GLN A 94 -4.157 3.102 1.208 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.754 4.505 1.342 1.00 0.00 C ATOM 1344 C GLN A 94 -2.246 4.683 1.231 1.00 0.00 C ATOM 1345 O GLN A 94 -1.474 3.997 1.906 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.240 5.089 2.670 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.733 5.385 2.703 1.00 0.00 C ATOM 1348 CD GLN A 94 -6.153 6.128 3.956 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.379 5.524 5.004 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.257 7.448 3.854 1.00 0.00 N ATOM 0 H GLN A 94 -3.777 2.483 1.924 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.221 5.043 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.000 4.391 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.692 6.009 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.002 5.976 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.287 4.448 2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.060 7.908 2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.534 8.002 4.665 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.848 5.616 0.362 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.437 5.939 0.136 1.00 0.00 C ATOM 1361 C ILE A 95 -0.221 7.461 0.281 1.00 0.00 C ATOM 1362 O ILE A 95 -0.762 8.224 -0.526 1.00 0.00 O ATOM 1363 CB ILE A 95 0.065 5.479 -1.269 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.583 4.155 -1.698 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.585 5.329 -1.284 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.060 4.153 -3.129 1.00 0.00 C ATOM 0 H ILE A 95 -2.493 6.168 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 95 0.140 5.398 0.886 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.227 6.253 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.136 3.347 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.427 3.944 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.909 5.008 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.047 6.286 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.885 4.586 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.506 3.186 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.803 4.939 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.215 4.333 -3.794 1.00 0.00 H new ATOM 1378 N PRO A 96 0.558 7.942 1.307 1.00 0.00 N ATOM 1379 CA PRO A 96 0.818 9.390 1.490 1.00 0.00 C ATOM 1380 C PRO A 96 1.493 10.024 0.265 1.00 0.00 C ATOM 1381 O PRO A 96 2.616 9.654 -0.102 1.00 0.00 O ATOM 1382 CB PRO A 96 1.751 9.447 2.708 1.00 0.00 C ATOM 1383 CG PRO A 96 1.523 8.164 3.429 1.00 0.00 C ATOM 1384 CD PRO A 96 1.218 7.143 2.369 1.00 0.00 C ATOM 0 HA PRO A 96 -0.108 9.949 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.792 9.548 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.520 10.303 3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.403 7.878 4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.696 8.254 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.124 6.659 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.565 6.355 2.745 1.00 0.00 H new ATOM 1392 N LEU A 97 0.787 10.966 -0.367 1.00 0.00 N ATOM 1393 CA LEU A 97 1.288 11.650 -1.558 1.00 0.00 C ATOM 1394 C LEU A 97 1.229 13.166 -1.386 1.00 0.00 C ATOM 1395 O LEU A 97 0.228 13.703 -0.902 1.00 0.00 O ATOM 1396 CB LEU A 97 0.468 11.227 -2.784 1.00 0.00 C ATOM 1397 CG LEU A 97 1.185 11.352 -4.130 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.660 9.989 -4.607 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.272 11.994 -5.162 1.00 0.00 C ATOM 0 H LEU A 97 -0.139 11.272 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 97 2.330 11.366 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.158 10.190 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.440 11.830 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 97 2.057 11.993 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.168 10.096 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.350 9.568 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.803 9.325 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.798 12.075 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.619 11.380 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.019 12.988 -4.822 1.00 0.00 H new ATOM 1411 N ASP A 98 2.311 13.845 -1.789 1.00 0.00 N ATOM 1412 CA ASP A 98 2.394 15.309 -1.705 1.00 0.00 C ATOM 1413 C ASP A 98 1.935 15.941 -3.015 1.00 0.00 C ATOM 1414 O ASP A 98 2.135 15.369 -4.086 1.00 0.00 O ATOM 1415 CB ASP A 98 3.824 15.770 -1.387 1.00 0.00 C ATOM 1416 CG ASP A 98 4.349 15.213 -0.074 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.154 15.869 0.970 1.00 0.00 O ATOM 1418 OD2 ASP A 98 4.955 14.120 -0.094 1.00 0.00 O ATOM 0 H ASP A 98 3.144 13.402 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 98 1.739 15.631 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.487 15.464 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.849 16.859 -1.349 1.00 0.00 H new ATOM 1423 N TYR A 99 1.305 17.118 -2.920 1.00 0.00 N ATOM 1424 CA TYR A 99 0.811 17.851 -4.099 1.00 0.00 C ATOM 1425 C TYR A 99 1.950 18.308 -5.024 1.00 0.00 C ATOM 1426 O TYR A 99 1.804 18.311 -6.249 1.00 0.00 O ATOM 1427 CB TYR A 99 -0.006 19.071 -3.660 1.00 0.00 C ATOM 1428 CG TYR A 99 -1.313 18.726 -2.977 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -2.418 18.340 -3.721 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -1.442 18.793 -1.596 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -3.617 18.027 -3.111 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -2.637 18.481 -0.976 1.00 0.00 C ATOM 1433 CZ TYR A 99 -3.722 18.099 -1.738 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.914 17.789 -1.126 1.00 0.00 O ATOM 0 H TYR A 99 1.123 17.588 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 99 0.182 17.161 -4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.598 19.674 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.217 19.688 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.340 18.283 -4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.595 19.094 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.467 17.728 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.721 18.536 0.099 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.819 17.889 -0.156 1.00 0.00 H new ATOM 1444 N GLU A 100 3.074 18.688 -4.408 1.00 0.00 N ATOM 1445 CA GLU A 100 4.258 19.181 -5.127 1.00 0.00 C ATOM 1446 C GLU A 100 5.076 18.049 -5.787 1.00 0.00 C ATOM 1447 O GLU A 100 5.417 18.142 -6.970 1.00 0.00 O ATOM 1448 CB GLU A 100 5.140 19.973 -4.145 1.00 0.00 C ATOM 1449 CG GLU A 100 6.217 20.834 -4.804 1.00 0.00 C ATOM 1450 CD GLU A 100 7.148 21.485 -3.797 1.00 0.00 C ATOM 1451 OE1 GLU A 100 7.863 20.748 -3.082 1.00 0.00 O ATOM 1452 OE2 GLU A 100 7.164 22.731 -3.723 1.00 0.00 O ATOM 0 H GLU A 100 3.191 18.663 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 100 3.913 19.823 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.500 20.616 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.622 19.271 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.802 20.217 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.740 21.609 -5.404 1.00 0.00 H new ATOM 1459 N THR A 101 5.379 16.994 -5.019 1.00 0.00 N ATOM 1460 CA THR A 101 6.187 15.865 -5.516 1.00 0.00 C ATOM 1461 C THR A 101 5.350 14.767 -6.171 1.00 0.00 C ATOM 1462 O THR A 101 5.834 14.087 -7.079 1.00 0.00 O ATOM 1463 CB THR A 101 7.026 15.244 -4.376 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.186 14.932 -3.258 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.141 16.183 -3.933 1.00 0.00 C ATOM 0 H THR A 101 5.078 16.896 -4.049 1.00 0.00 H new ATOM 0 HA THR A 101 6.841 16.285 -6.280 1.00 0.00 H new ATOM 0 HB THR A 101 7.480 14.329 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.388 15.541 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.712 15.716 -3.130 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.801 16.388 -4.776 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.709 17.118 -3.575 1.00 0.00 H new ATOM 1473 N GLU A 102 4.081 14.615 -5.734 1.00 0.00 N ATOM 1474 CA GLU A 102 3.148 13.578 -6.256 1.00 0.00 C ATOM 1475 C GLU A 102 3.787 12.168 -6.269 1.00 0.00 C ATOM 1476 O GLU A 102 3.383 11.289 -7.041 1.00 0.00 O ATOM 1477 CB GLU A 102 2.640 13.955 -7.666 1.00 0.00 C ATOM 1478 CG GLU A 102 1.700 15.151 -7.682 1.00 0.00 C ATOM 1479 CD GLU A 102 1.157 15.447 -9.067 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.796 16.229 -9.802 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.091 14.896 -9.417 1.00 0.00 O ATOM 0 H GLU A 102 3.670 15.204 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 102 2.298 13.543 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.497 14.170 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.127 13.096 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.869 14.964 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.228 16.028 -7.307 1.00 0.00 H new ATOM 1488 N LYS A 103 4.776 11.970 -5.385 1.00 0.00 N ATOM 1489 CA LYS A 103 5.503 10.701 -5.285 1.00 0.00 C ATOM 1490 C LYS A 103 5.039 9.907 -4.067 1.00 0.00 C ATOM 1491 O LYS A 103 4.696 10.493 -3.035 1.00 0.00 O ATOM 1492 CB LYS A 103 7.018 10.953 -5.184 1.00 0.00 C ATOM 1493 CG LYS A 103 7.601 11.786 -6.323 1.00 0.00 C ATOM 1494 CD LYS A 103 9.120 11.797 -6.288 1.00 0.00 C ATOM 1495 CE LYS A 103 9.694 12.739 -7.336 1.00 0.00 C ATOM 1496 NZ LYS A 103 11.059 12.328 -7.765 1.00 0.00 N ATOM 0 H LYS A 103 5.091 12.681 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 103 5.294 10.124 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.227 11.456 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.532 9.992 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.262 11.385 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.228 12.808 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.460 12.101 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.496 10.788 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.033 12.764 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.730 13.751 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.414 12.995 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.696 12.329 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.022 11.372 -8.173 1.00 0.00 H new ATOM 1510 N HIS A 104 5.032 8.574 -4.195 1.00 0.00 N ATOM 1511 CA HIS A 104 4.615 7.685 -3.101 1.00 0.00 C ATOM 1512 C HIS A 104 5.784 7.325 -2.171 1.00 0.00 C ATOM 1513 O HIS A 104 5.568 6.828 -1.063 1.00 0.00 O ATOM 1514 CB HIS A 104 3.944 6.410 -3.645 1.00 0.00 C ATOM 1515 CG HIS A 104 4.785 5.579 -4.577 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.261 4.328 -4.240 1.00 0.00 N ATOM 1517 CD2 HIS A 104 5.202 5.811 -5.843 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.931 3.825 -5.261 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.912 4.705 -6.246 1.00 0.00 N ATOM 0 H HIS A 104 5.311 8.086 -5.046 1.00 0.00 H new ATOM 0 HA HIS A 104 3.883 8.235 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.648 5.788 -2.800 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.030 6.696 -4.166 1.00 0.00 H new ATOM 0 HD1 HIS A 104 5.118 3.864 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 104 5.013 6.699 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.413 2.859 -5.286 1.00 0.00 H new ATOM 1528 N ARG A 105 7.024 7.572 -2.648 1.00 0.00 N ATOM 1529 CA ARG A 105 8.279 7.295 -1.900 1.00 0.00 C ATOM 1530 C ARG A 105 8.575 5.788 -1.757 1.00 0.00 C ATOM 1531 O ARG A 105 9.644 5.411 -1.265 1.00 0.00 O ATOM 1532 CB ARG A 105 8.288 7.975 -0.516 1.00 0.00 C ATOM 1533 CG ARG A 105 8.361 9.494 -0.579 1.00 0.00 C ATOM 1534 CD ARG A 105 8.452 10.106 0.809 1.00 0.00 C ATOM 1535 NE ARG A 105 8.334 11.568 0.772 1.00 0.00 N ATOM 1536 CZ ARG A 105 8.734 12.392 1.752 1.00 0.00 C ATOM 1537 NH1 ARG A 105 9.283 11.918 2.869 1.00 0.00 N ATOM 1538 NH2 ARG A 105 8.580 13.700 1.609 1.00 0.00 N ATOM 0 H ARG A 105 7.188 7.973 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 105 9.078 7.727 -2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.388 7.686 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.138 7.603 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.228 9.793 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.480 9.881 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.664 9.694 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.402 9.830 1.266 1.00 0.00 H new ATOM 0 HE ARG A 105 7.918 11.988 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.405 10.913 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.581 12.560 3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.160 14.074 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.882 14.333 2.350 1.00 0.00 H new ATOM 1552 N GLY A 106 7.633 4.937 -2.195 1.00 0.00 N ATOM 1553 CA GLY A 106 7.831 3.494 -2.127 1.00 0.00 C ATOM 1554 C GLY A 106 7.241 2.821 -0.894 1.00 0.00 C ATOM 1555 O GLY A 106 7.682 1.724 -0.539 1.00 0.00 O ATOM 0 H GLY A 106 6.740 5.226 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.392 3.040 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.901 3.287 -2.159 1.00 0.00 H new ATOM 1559 N PHE A 107 6.273 3.471 -0.220 1.00 0.00 N ATOM 1560 CA PHE A 107 5.623 2.871 0.957 1.00 0.00 C ATOM 1561 C PHE A 107 4.138 3.240 1.033 1.00 0.00 C ATOM 1562 O PHE A 107 3.732 4.315 0.588 1.00 0.00 O ATOM 1563 CB PHE A 107 6.354 3.236 2.272 1.00 0.00 C ATOM 1564 CG PHE A 107 6.350 4.700 2.638 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.353 5.545 2.195 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.344 5.221 3.437 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.353 6.884 2.542 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.338 6.558 3.785 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.344 7.391 3.337 1.00 0.00 C ATOM 0 H PHE A 107 5.929 4.399 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 107 5.691 1.790 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.898 2.675 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.389 2.902 2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.144 5.155 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.555 4.574 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.142 7.533 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.547 6.951 4.407 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.342 8.437 3.608 1.00 0.00 H new ATOM 1579 N ALA A 108 3.345 2.326 1.618 1.00 0.00 N ATOM 1580 CA ALA A 108 1.889 2.494 1.775 1.00 0.00 C ATOM 1581 C ALA A 108 1.363 1.635 2.934 1.00 0.00 C ATOM 1582 O ALA A 108 2.121 0.873 3.540 1.00 0.00 O ATOM 1583 CB ALA A 108 1.170 2.108 0.485 1.00 0.00 C ATOM 0 H ALA A 108 3.697 1.447 1.997 1.00 0.00 H new ATOM 0 HA ALA A 108 1.692 3.543 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.095 2.237 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.516 2.745 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.384 1.066 0.247 1.00 0.00 H new ATOM 1589 N PHE A 109 0.070 1.796 3.258 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.585 0.999 4.302 1.00 0.00 C ATOM 1591 C PHE A 109 -1.778 0.262 3.697 1.00 0.00 C ATOM 1592 O PHE A 109 -2.384 0.745 2.735 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.045 1.868 5.481 1.00 0.00 C ATOM 1594 CG PHE A 109 0.082 2.514 6.240 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.559 3.762 5.874 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.666 1.867 7.319 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.596 4.353 6.568 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.705 2.453 8.016 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.170 3.698 7.640 1.00 0.00 C ATOM 0 H PHE A 109 -0.543 2.475 2.808 1.00 0.00 H new ATOM 0 HA PHE A 109 0.140 0.283 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.711 2.646 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.626 1.253 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.115 4.279 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.304 0.894 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.958 5.327 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.153 1.938 8.853 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.982 4.159 8.184 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.114 -0.898 4.263 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.231 -1.701 3.762 1.00 0.00 C ATOM 1611 C VAL A 110 -4.285 -1.931 4.857 1.00 0.00 C ATOM 1612 O VAL A 110 -3.953 -2.262 5.999 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.725 -3.052 3.135 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.968 -3.927 4.136 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.865 -3.845 2.493 1.00 0.00 C ATOM 0 H VAL A 110 -1.631 -1.302 5.066 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.717 -1.141 2.963 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.020 -2.767 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.644 -4.845 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.097 -3.386 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.623 -4.174 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.472 -4.771 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.615 -4.079 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.320 -3.251 1.701 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.553 -1.743 4.473 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.686 -1.913 5.375 1.00 0.00 C ATOM 1627 C GLU A 111 -7.464 -3.177 5.003 1.00 0.00 C ATOM 1628 O GLU A 111 -7.795 -3.383 3.833 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.593 -0.675 5.286 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.557 -0.507 6.456 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.582 0.592 6.228 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.325 0.520 5.224 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.643 1.525 7.056 1.00 0.00 O ATOM 0 H GLU A 111 -5.817 -1.469 3.527 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.328 -2.020 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.966 0.214 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.169 -0.729 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.076 -1.450 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.988 -0.284 7.359 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.750 -4.010 6.005 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.492 -5.252 5.795 1.00 0.00 C ATOM 1642 C PHE A 112 -9.823 -5.238 6.537 1.00 0.00 C ATOM 1643 O PHE A 112 -9.948 -4.608 7.590 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.670 -6.460 6.250 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.568 -6.853 5.305 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.297 -6.317 5.427 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.809 -7.770 4.292 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.289 -6.689 4.559 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.804 -8.141 3.421 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.544 -7.601 3.557 1.00 0.00 C ATOM 0 H PHE A 112 -7.477 -3.845 6.974 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.689 -5.332 4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.235 -6.242 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.339 -7.310 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.092 -5.601 6.209 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.794 -8.199 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.301 -6.265 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.005 -8.853 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.756 -7.892 2.879 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.818 -5.935 5.967 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.156 -6.042 6.567 1.00 0.00 C ATOM 1662 C GLU A 113 -12.118 -6.942 7.818 1.00 0.00 C ATOM 1663 O GLU A 113 -12.795 -6.667 8.812 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.148 -6.598 5.529 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.616 -6.407 5.891 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.555 -7.069 4.901 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.625 -6.602 3.743 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.223 -8.053 5.282 1.00 0.00 O ATOM 0 H GLU A 113 -10.719 -6.436 5.084 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.486 -5.050 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.958 -6.117 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.956 -7.663 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.797 -6.815 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.838 -5.341 5.939 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.313 -8.009 7.738 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.149 -8.958 8.838 1.00 0.00 C ATOM 1677 C LEU A 114 -9.820 -8.756 9.543 1.00 0.00 C ATOM 1678 O LEU A 114 -8.799 -8.509 8.899 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.207 -10.406 8.323 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.605 -11.007 8.153 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.218 -10.601 6.819 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.531 -12.523 8.268 1.00 0.00 C ATOM 0 H LEU A 114 -10.761 -8.235 6.911 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.965 -8.779 9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.697 -10.448 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.644 -11.037 9.011 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.247 -10.620 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.210 -11.042 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.297 -9.515 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.585 -10.955 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.528 -12.946 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.873 -12.915 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.139 -12.795 9.248 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.845 -8.849 10.876 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.627 -8.747 11.687 1.00 0.00 C ATOM 1696 C ALA A 115 -7.829 -10.054 11.566 1.00 0.00 C ATOM 1697 O ALA A 115 -6.621 -10.100 11.824 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.977 -8.467 13.141 1.00 0.00 C ATOM 0 H ALA A 115 -10.697 -8.995 11.418 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.019 -7.919 11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.062 -8.394 13.728 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.527 -7.528 13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.594 -9.277 13.529 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.555 -11.106 11.147 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.022 -12.456 10.949 1.00 0.00 C ATOM 1706 C GLU A 116 -7.092 -12.526 9.718 1.00 0.00 C ATOM 1707 O GLU A 116 -5.965 -13.025 9.813 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.218 -13.417 10.792 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.857 -14.888 10.698 1.00 0.00 C ATOM 1710 CD GLU A 116 -10.060 -15.775 10.430 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.662 -15.651 9.343 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.398 -16.595 11.309 1.00 0.00 O ATOM 0 H GLU A 116 -9.550 -11.034 10.933 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.417 -12.741 11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.889 -13.278 11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.773 -13.138 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.125 -15.027 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.381 -15.200 11.628 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.577 -12.006 8.577 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.807 -12.003 7.321 1.00 0.00 C ATOM 1721 C ASP A 117 -5.597 -11.055 7.389 1.00 0.00 C ATOM 1722 O ASP A 117 -4.565 -11.315 6.764 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.721 -11.700 6.108 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.468 -10.371 6.171 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.906 -9.386 6.687 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.622 -10.321 5.695 1.00 0.00 O ATOM 0 H ASP A 117 -8.501 -11.581 8.499 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.403 -13.006 7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.113 -11.714 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.451 -12.504 6.014 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.742 -9.956 8.155 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.668 -8.967 8.340 1.00 0.00 C ATOM 1733 C ALA A 118 -3.469 -9.587 9.063 1.00 0.00 C ATOM 1734 O ALA A 118 -2.317 -9.399 8.651 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.192 -7.772 9.120 1.00 0.00 C ATOM 0 H ALA A 118 -6.601 -9.732 8.658 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.335 -8.634 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.391 -7.045 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.013 -7.311 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.548 -8.102 10.096 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.758 -10.343 10.141 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.724 -11.041 10.912 1.00 0.00 C ATOM 1743 C ALA A 119 -2.069 -12.120 10.049 1.00 0.00 C ATOM 1744 O ALA A 119 -0.892 -12.453 10.225 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.322 -11.655 12.171 1.00 0.00 C ATOM 0 H ALA A 119 -4.705 -10.483 10.494 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.963 -10.321 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.541 -12.169 12.731 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.754 -10.868 12.789 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.099 -12.368 11.895 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.866 -12.649 9.104 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.413 -13.672 8.155 1.00 0.00 C ATOM 1753 C ALA A 120 -1.453 -13.076 7.122 1.00 0.00 C ATOM 1754 O ALA A 120 -0.521 -13.744 6.667 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.608 -14.303 7.452 1.00 0.00 C ATOM 0 H ALA A 120 -3.841 -12.377 8.980 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.880 -14.441 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.259 -15.061 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.262 -14.766 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.160 -13.534 6.911 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.698 -11.800 6.769 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.874 -11.069 5.799 1.00 0.00 C ATOM 1763 C ALA A 121 0.539 -10.804 6.335 1.00 0.00 C ATOM 1764 O ALA A 121 1.514 -10.886 5.584 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.554 -9.759 5.416 1.00 0.00 C ATOM 0 H ALA A 121 -2.470 -11.252 7.149 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.773 -11.693 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.934 -9.224 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.527 -9.970 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.688 -9.145 6.306 1.00 0.00 H new ATOM 1771 N ILE A 122 0.637 -10.485 7.641 1.00 0.00 N ATOM 1772 CA ILE A 122 1.937 -10.222 8.293 1.00 0.00 C ATOM 1773 C ILE A 122 2.772 -11.507 8.436 1.00 0.00 C ATOM 1774 O ILE A 122 3.986 -11.486 8.225 1.00 0.00 O ATOM 1775 CB ILE A 122 1.767 -9.521 9.681 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.146 -8.128 9.497 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.106 -9.392 10.420 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.177 -7.731 10.587 1.00 0.00 C ATOM 0 H ILE A 122 -0.166 -10.403 8.264 1.00 0.00 H new ATOM 0 HA ILE A 122 2.477 -9.537 7.639 1.00 0.00 H new ATOM 0 HB ILE A 122 1.106 -10.143 10.284 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.946 -7.389 9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.629 -8.097 8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.946 -8.900 11.379 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.527 -10.384 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.797 -8.800 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.215 -6.735 10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.646 -8.445 10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.692 -7.726 11.548 1.00 0.00 H new ATOM 1790 N ASP A 123 2.108 -12.611 8.795 1.00 0.00 N ATOM 1791 CA ASP A 123 2.775 -13.908 8.979 1.00 0.00 C ATOM 1792 C ASP A 123 3.249 -14.533 7.653 1.00 0.00 C ATOM 1793 O ASP A 123 4.244 -15.265 7.636 1.00 0.00 O ATOM 1794 CB ASP A 123 1.832 -14.877 9.699 1.00 0.00 C ATOM 1795 CG ASP A 123 2.570 -15.850 10.600 1.00 0.00 C ATOM 1796 OD1 ASP A 123 2.948 -16.938 10.116 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.769 -15.525 11.789 1.00 0.00 O ATOM 0 H ASP A 123 1.103 -12.633 8.965 1.00 0.00 H new ATOM 0 HA ASP A 123 3.665 -13.726 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.117 -14.308 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.258 -15.436 8.960 1.00 0.00 H new ATOM 1802 N ASN A 124 2.535 -14.241 6.557 1.00 0.00 N ATOM 1803 CA ASN A 124 2.856 -14.815 5.242 1.00 0.00 C ATOM 1804 C ASN A 124 3.890 -14.019 4.431 1.00 0.00 C ATOM 1805 O ASN A 124 4.800 -14.624 3.856 1.00 0.00 O ATOM 1806 CB ASN A 124 1.579 -14.989 4.411 1.00 0.00 C ATOM 1807 CG ASN A 124 0.654 -16.069 4.954 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.103 -17.110 5.442 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.649 -15.830 4.866 1.00 0.00 N ATOM 0 H ASN A 124 1.732 -13.612 6.554 1.00 0.00 H new ATOM 0 HA ASN A 124 3.315 -15.780 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.042 -14.041 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.852 -15.235 3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.318 -16.519 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.981 -14.957 4.456 1.00 0.00 H new ATOM 1816 N MET A 125 3.767 -12.680 4.375 1.00 0.00 N ATOM 1817 CA MET A 125 4.695 -11.869 3.575 1.00 0.00 C ATOM 1818 C MET A 125 5.301 -10.700 4.363 1.00 0.00 C ATOM 1819 O MET A 125 5.302 -9.555 3.896 1.00 0.00 O ATOM 1820 CB MET A 125 3.982 -11.359 2.310 1.00 0.00 C ATOM 1821 CG MET A 125 3.691 -12.448 1.284 1.00 0.00 C ATOM 1822 SD MET A 125 2.955 -11.809 -0.237 1.00 0.00 S ATOM 1823 CE MET A 125 4.395 -11.171 -1.092 1.00 0.00 C ATOM 0 H MET A 125 3.048 -12.148 4.865 1.00 0.00 H new ATOM 0 HA MET A 125 5.528 -12.513 3.294 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.044 -10.886 2.599 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.597 -10.589 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.618 -12.968 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 125 3.019 -13.184 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 125 4.124 -10.908 -2.115 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.762 -10.285 -0.575 1.00 0.00 H new ATOM 0 HE3 MET A 125 5.176 -11.932 -1.107 1.00 0.00 H new ATOM 1833 N ASN A 126 5.835 -10.995 5.557 1.00 0.00 N ATOM 1834 CA ASN A 126 6.476 -9.971 6.405 1.00 0.00 C ATOM 1835 C ASN A 126 7.731 -9.399 5.721 1.00 0.00 C ATOM 1836 O ASN A 126 8.012 -8.203 5.819 1.00 0.00 O ATOM 1837 CB ASN A 126 6.845 -10.571 7.771 1.00 0.00 C ATOM 1838 CG ASN A 126 6.980 -9.523 8.866 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.703 -8.537 8.716 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.282 -9.735 9.976 1.00 0.00 N ATOM 0 H ASN A 126 5.837 -11.932 5.960 1.00 0.00 H new ATOM 0 HA ASN A 126 5.767 -9.157 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.083 -11.295 8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.785 -11.116 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.333 -9.068 10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.695 -10.565 10.059 1.00 0.00 H new ATOM 1847 N GLU A 127 8.472 -10.283 5.035 1.00 0.00 N ATOM 1848 CA GLU A 127 9.689 -9.917 4.302 1.00 0.00 C ATOM 1849 C GLU A 127 9.765 -10.714 2.997 1.00 0.00 C ATOM 1850 O GLU A 127 10.499 -11.704 2.881 1.00 0.00 O ATOM 1851 CB GLU A 127 10.939 -10.145 5.165 1.00 0.00 C ATOM 1852 CG GLU A 127 11.105 -9.112 6.265 1.00 0.00 C ATOM 1853 CD GLU A 127 12.288 -9.401 7.167 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.183 -10.317 8.009 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.322 -8.712 7.031 1.00 0.00 O ATOM 0 H GLU A 127 8.241 -11.275 4.974 1.00 0.00 H new ATOM 0 HA GLU A 127 9.650 -8.855 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.887 -11.137 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.821 -10.130 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.228 -8.126 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.196 -9.078 6.865 1.00 0.00 H new ATOM 1862 N SER A 128 8.975 -10.264 2.023 1.00 0.00 N ATOM 1863 CA SER A 128 8.900 -10.902 0.706 1.00 0.00 C ATOM 1864 C SER A 128 9.238 -9.912 -0.408 1.00 0.00 C ATOM 1865 O SER A 128 9.241 -8.700 -0.188 1.00 0.00 O ATOM 1866 CB SER A 128 7.501 -11.487 0.487 1.00 0.00 C ATOM 1867 OG SER A 128 7.186 -12.446 1.482 1.00 0.00 O ATOM 0 H SER A 128 8.370 -9.449 2.122 1.00 0.00 H new ATOM 0 HA SER A 128 9.635 -11.706 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.762 -10.686 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.448 -11.950 -0.498 1.00 0.00 H new ATOM 0 HG SER A 128 6.858 -13.265 1.055 1.00 0.00 H new ATOM 1873 N GLU A 129 9.553 -10.440 -1.601 1.00 0.00 N ATOM 1874 CA GLU A 129 9.889 -9.608 -2.752 1.00 0.00 C ATOM 1875 C GLU A 129 8.628 -9.258 -3.557 1.00 0.00 C ATOM 1876 O GLU A 129 7.939 -10.143 -4.077 1.00 0.00 O ATOM 1877 CB GLU A 129 10.909 -10.338 -3.635 1.00 0.00 C ATOM 1878 CG GLU A 129 11.722 -9.418 -4.533 1.00 0.00 C ATOM 1879 CD GLU A 129 12.648 -10.175 -5.467 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.623 -10.782 -4.975 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.397 -10.161 -6.690 1.00 0.00 O ATOM 0 H GLU A 129 9.580 -11.442 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 129 10.329 -8.676 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.590 -10.900 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.383 -11.063 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.044 -8.801 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.311 -8.742 -3.914 1.00 0.00 H new ATOM 1888 N LEU A 130 8.344 -7.957 -3.634 1.00 0.00 N ATOM 1889 CA LEU A 130 7.189 -7.441 -4.366 1.00 0.00 C ATOM 1890 C LEU A 130 7.651 -6.456 -5.439 1.00 0.00 C ATOM 1891 O LEU A 130 8.402 -5.519 -5.152 1.00 0.00 O ATOM 1892 CB LEU A 130 6.203 -6.772 -3.393 1.00 0.00 C ATOM 1893 CG LEU A 130 4.806 -6.459 -3.954 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.884 -7.666 -3.829 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.207 -5.256 -3.241 1.00 0.00 C ATOM 0 H LEU A 130 8.909 -7.233 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 130 6.675 -8.268 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.086 -7.419 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.647 -5.841 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 130 4.910 -6.222 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.903 -7.418 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.304 -8.504 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.785 -7.941 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.218 -5.047 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.122 -5.470 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.851 -4.389 -3.387 1.00 0.00 H new ATOM 1907 N PHE A 131 7.189 -6.683 -6.683 1.00 0.00 N ATOM 1908 CA PHE A 131 7.535 -5.852 -7.863 1.00 0.00 C ATOM 1909 C PHE A 131 9.061 -5.766 -8.108 1.00 0.00 C ATOM 1910 O PHE A 131 9.541 -4.856 -8.798 1.00 0.00 O ATOM 1911 CB PHE A 131 6.915 -4.437 -7.772 1.00 0.00 C ATOM 1912 CG PHE A 131 6.270 -4.005 -9.060 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.010 -3.348 -10.033 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.934 -4.275 -9.310 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.427 -2.966 -11.226 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.347 -3.895 -10.503 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.094 -3.240 -11.461 1.00 0.00 C ATOM 0 H PHE A 131 6.559 -7.454 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 131 7.099 -6.359 -8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.172 -4.420 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.691 -3.721 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.053 -3.133 -9.856 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.344 -4.788 -8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.013 -2.453 -11.974 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.305 -4.111 -10.685 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.637 -2.942 -12.393 1.00 0.00 H new ATOM 1927 N GLY A 132 9.807 -6.732 -7.552 1.00 0.00 N ATOM 1928 CA GLY A 132 11.258 -6.771 -7.723 1.00 0.00 C ATOM 1929 C GLY A 132 12.033 -6.155 -6.563 1.00 0.00 C ATOM 1930 O GLY A 132 13.261 -6.049 -6.630 1.00 0.00 O ATOM 0 H GLY A 132 9.428 -7.490 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.572 -7.807 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.520 -6.246 -8.642 1.00 0.00 H new ATOM 1934 N ARG A 133 11.318 -5.753 -5.507 1.00 0.00 N ATOM 1935 CA ARG A 133 11.941 -5.145 -4.325 1.00 0.00 C ATOM 1936 C ARG A 133 11.498 -5.860 -3.050 1.00 0.00 C ATOM 1937 O ARG A 133 10.414 -6.440 -3.007 1.00 0.00 O ATOM 1938 CB ARG A 133 11.574 -3.660 -4.224 1.00 0.00 C ATOM 1939 CG ARG A 133 12.150 -2.788 -5.331 1.00 0.00 C ATOM 1940 CD ARG A 133 11.790 -1.325 -5.123 1.00 0.00 C ATOM 1941 NE ARG A 133 12.615 -0.693 -4.084 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.260 0.474 -4.225 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.193 1.168 -5.360 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.978 0.950 -3.217 1.00 0.00 N ATOM 0 H ARG A 133 10.303 -5.838 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 133 13.021 -5.243 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.488 -3.566 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.918 -3.279 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.234 -2.898 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.772 -3.124 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.914 -0.785 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.738 -1.247 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 133 12.703 -1.177 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.643 0.814 -6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.691 2.054 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.037 0.429 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.472 1.837 -3.317 1.00 0.00 H new ATOM 1958 N THR A 134 12.340 -5.801 -2.008 1.00 0.00 N ATOM 1959 CA THR A 134 12.030 -6.430 -0.717 1.00 0.00 C ATOM 1960 C THR A 134 11.078 -5.536 0.086 1.00 0.00 C ATOM 1961 O THR A 134 11.310 -4.329 0.205 1.00 0.00 O ATOM 1962 CB THR A 134 13.313 -6.696 0.115 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.418 -6.978 -0.754 1.00 0.00 O ATOM 1964 CG2 THR A 134 13.120 -7.872 1.070 1.00 0.00 C ATOM 0 H THR A 134 13.241 -5.324 -2.035 1.00 0.00 H new ATOM 0 HA THR A 134 11.554 -7.389 -0.924 1.00 0.00 H new ATOM 0 HB THR A 134 13.519 -5.798 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.222 -7.142 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.036 -8.033 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.301 -7.653 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.885 -8.770 0.499 1.00 0.00 H new ATOM 1972 N ILE A 135 10.013 -6.136 0.629 1.00 0.00 N ATOM 1973 CA ILE A 135 9.017 -5.385 1.400 1.00 0.00 C ATOM 1974 C ILE A 135 8.908 -5.886 2.840 1.00 0.00 C ATOM 1975 O ILE A 135 9.201 -7.051 3.129 1.00 0.00 O ATOM 1976 CB ILE A 135 7.602 -5.405 0.732 1.00 0.00 C ATOM 1977 CG1 ILE A 135 7.077 -6.844 0.521 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.627 -4.647 -0.595 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.623 -7.035 0.908 1.00 0.00 C ATOM 0 H ILE A 135 9.819 -7.134 0.549 1.00 0.00 H new ATOM 0 HA ILE A 135 9.375 -4.355 1.413 1.00 0.00 H new ATOM 0 HB ILE A 135 6.915 -4.906 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.201 -7.115 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.690 -7.532 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.635 -4.671 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.920 -3.612 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.343 -5.117 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.332 -8.070 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.493 -6.798 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.997 -6.374 0.308 1.00 0.00 H new ATOM 1991 N ARG A 136 8.483 -4.984 3.730 1.00 0.00 N ATOM 1992 CA ARG A 136 8.301 -5.306 5.147 1.00 0.00 C ATOM 1993 C ARG A 136 6.874 -4.978 5.556 1.00 0.00 C ATOM 1994 O ARG A 136 6.364 -3.910 5.203 1.00 0.00 O ATOM 1995 CB ARG A 136 9.260 -4.498 6.037 1.00 0.00 C ATOM 1996 CG ARG A 136 10.728 -4.628 5.669 1.00 0.00 C ATOM 1997 CD ARG A 136 11.628 -4.083 6.767 1.00 0.00 C ATOM 1998 NE ARG A 136 13.038 -4.059 6.362 1.00 0.00 N ATOM 1999 CZ ARG A 136 14.077 -4.130 7.207 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.889 -4.235 8.522 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.314 -4.095 6.730 1.00 0.00 N ATOM 0 H ARG A 136 8.257 -4.018 3.491 1.00 0.00 H new ATOM 0 HA ARG A 136 8.512 -6.367 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.979 -3.446 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.129 -4.816 7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.967 -5.676 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.920 -4.092 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.309 -3.074 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.519 -4.695 7.662 1.00 0.00 H new ATOM 0 HE ARG A 136 13.243 -3.983 5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.943 -4.263 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.692 -4.288 9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.471 -4.014 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.108 -4.149 7.368 1.00 0.00 H new ATOM 2015 N VAL A 137 6.226 -5.886 6.292 1.00 0.00 N ATOM 2016 CA VAL A 137 4.855 -5.641 6.739 1.00 0.00 C ATOM 2017 C VAL A 137 4.720 -5.876 8.246 1.00 0.00 C ATOM 2018 O VAL A 137 5.241 -6.855 8.790 1.00 0.00 O ATOM 2019 CB VAL A 137 3.766 -6.445 5.928 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.239 -6.823 4.527 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.282 -7.683 6.655 1.00 0.00 C ATOM 0 H VAL A 137 6.620 -6.780 6.585 1.00 0.00 H new ATOM 0 HA VAL A 137 4.654 -4.590 6.531 1.00 0.00 H new ATOM 0 HB VAL A 137 2.925 -5.758 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.451 -7.374 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.474 -5.919 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.130 -7.447 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.535 -8.193 6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.123 -8.353 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.839 -7.395 7.608 1.00 0.00 H new ATOM 2031 N ASN A 138 4.024 -4.944 8.903 1.00 0.00 N ATOM 2032 CA ASN A 138 3.780 -4.982 10.344 1.00 0.00 C ATOM 2033 C ASN A 138 2.441 -4.309 10.674 1.00 0.00 C ATOM 2034 O ASN A 138 1.786 -3.760 9.789 1.00 0.00 O ATOM 2035 CB ASN A 138 4.944 -4.331 11.127 1.00 0.00 C ATOM 2036 CG ASN A 138 5.171 -2.860 10.807 1.00 0.00 C ATOM 2037 OD1 ASN A 138 4.254 -2.042 10.890 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.396 -2.520 10.446 1.00 0.00 N ATOM 0 H ASN A 138 3.610 -4.133 8.442 1.00 0.00 H new ATOM 0 HA ASN A 138 3.725 -6.025 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.749 -4.432 12.195 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.861 -4.882 10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 138 6.611 -1.548 10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.127 -3.230 10.390 1.00 0.00 H new ATOM 2045 N LEU A 139 2.036 -4.370 11.946 1.00 0.00 N ATOM 2046 CA LEU A 139 0.776 -3.762 12.396 1.00 0.00 C ATOM 2047 C LEU A 139 0.886 -2.236 12.454 1.00 0.00 C ATOM 2048 O LEU A 139 1.835 -1.695 13.030 1.00 0.00 O ATOM 2049 CB LEU A 139 0.384 -4.305 13.771 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.024 -5.777 13.793 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.886 -6.578 14.709 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.474 -5.912 14.222 1.00 0.00 C ATOM 0 H LEU A 139 2.563 -4.835 12.685 1.00 0.00 H new ATOM 0 HA LEU A 139 0.004 -4.024 11.672 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.223 -4.166 14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.442 -3.709 14.158 1.00 0.00 H new ATOM 0 HG LEU A 139 0.079 -6.179 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.575 -7.623 14.708 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.914 -6.505 14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.822 -6.182 15.722 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.753 -6.966 14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.599 -5.492 15.220 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.113 -5.375 13.520 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.098 -1.557 11.850 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.132 -0.095 11.809 1.00 0.00 C ATOM 2066 C ALA A 140 -1.073 0.461 12.873 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.554 0.385 10.425 1.00 0.00 C ATOM 0 H ALA A 140 -0.885 -2.004 11.381 1.00 0.00 H new ATOM 0 HA ALA A 140 0.872 0.274 12.019 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.575 1.475 10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.158 0.025 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.547 -0.001 10.193 1.00 0.00 H new