USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 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 : no HD1:sc= -1.75! X(o=-1.8!,f=-1.8) USER MOD Single : A 91 THR OG1 : rot 167:sc= 0.478 USER MOD Single : A 94 GLN : amide:sc=-0.000906 X(o=-0.00091,f=-0.0014) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-7.5!) USER MOD Single : A 124 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.1) USER MOD Single : A 125 MET CE :methyl 147:sc= -0.0463 (180deg=-1.34) USER MOD Single : A 126 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.32) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -2.44! C(o=-2.4!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.521 -4.296 12.035 1.00 0.00 N ATOM 883 CA ARG A 64 -6.837 -4.657 10.644 1.00 0.00 C ATOM 884 C ARG A 64 -5.985 -3.877 9.626 1.00 0.00 C ATOM 885 O ARG A 64 -5.961 -4.225 8.442 1.00 0.00 O ATOM 886 CB ARG A 64 -8.328 -4.435 10.366 1.00 0.00 C ATOM 887 CG ARG A 64 -9.238 -5.437 11.063 1.00 0.00 C ATOM 888 CD ARG A 64 -10.703 -5.169 10.766 1.00 0.00 C ATOM 889 NE ARG A 64 -11.590 -6.051 11.535 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.799 -5.703 12.001 1.00 0.00 C ATOM 891 NH1 ARG A 64 -13.297 -4.487 11.785 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.512 -6.585 12.687 1.00 0.00 N ATOM 0 HA ARG A 64 -6.596 -5.713 10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.601 -3.428 10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.500 -4.489 9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.981 -6.446 10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.071 -5.392 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.936 -4.130 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.888 -5.308 9.701 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.263 -6.997 11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.757 -3.801 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.218 -4.241 12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.140 -7.520 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.432 -6.329 13.045 1.00 0.00 H new ATOM 906 N VAL A 65 -5.292 -2.830 10.098 1.00 0.00 N ATOM 907 CA VAL A 65 -4.432 -2.006 9.235 1.00 0.00 C ATOM 908 C VAL A 65 -2.966 -2.392 9.459 1.00 0.00 C ATOM 909 O VAL A 65 -2.500 -2.443 10.602 1.00 0.00 O ATOM 910 CB VAL A 65 -4.631 -0.478 9.495 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.898 0.370 8.455 1.00 0.00 C ATOM 912 CG2 VAL A 65 -6.113 -0.108 9.509 1.00 0.00 C ATOM 0 H VAL A 65 -5.310 -2.534 11.074 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.714 -2.197 8.199 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.205 -0.266 10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.059 1.427 8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.831 0.151 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.281 0.138 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.219 0.961 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.559 -0.358 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.619 -0.663 10.299 1.00 0.00 H new ATOM 922 N LEU A 66 -2.255 -2.658 8.358 1.00 0.00 N ATOM 923 CA LEU A 66 -0.844 -3.064 8.415 1.00 0.00 C ATOM 924 C LEU A 66 0.035 -2.132 7.586 1.00 0.00 C ATOM 925 O LEU A 66 -0.450 -1.440 6.684 1.00 0.00 O ATOM 926 CB LEU A 66 -0.651 -4.518 7.923 1.00 0.00 C ATOM 927 CG LEU A 66 -1.911 -5.391 7.811 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.692 -6.493 6.787 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.289 -5.981 9.164 1.00 0.00 C ATOM 0 H LEU A 66 -2.634 -2.599 7.413 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.543 -3.003 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.175 -4.483 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.046 -5.014 8.599 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.738 -4.763 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.590 -7.106 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.477 -6.049 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.852 -7.115 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.184 -6.594 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.469 -6.597 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.485 -5.175 9.871 1.00 0.00 H new ATOM 941 N TYR A 67 1.333 -2.128 7.907 1.00 0.00 N ATOM 942 CA TYR A 67 2.325 -1.334 7.189 1.00 0.00 C ATOM 943 C TYR A 67 2.958 -2.195 6.102 1.00 0.00 C ATOM 944 O TYR A 67 3.329 -3.337 6.358 1.00 0.00 O ATOM 945 CB TYR A 67 3.408 -0.813 8.165 1.00 0.00 C ATOM 946 CG TYR A 67 4.687 -0.306 7.502 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.788 0.993 7.020 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.788 -1.148 7.350 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.947 1.440 6.407 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.949 -0.709 6.741 1.00 0.00 C ATOM 951 CZ TYR A 67 7.023 0.585 6.271 1.00 0.00 C ATOM 952 OH TYR A 67 8.175 1.027 5.663 1.00 0.00 O ATOM 0 H TYR A 67 1.722 -2.677 8.674 1.00 0.00 H new ATOM 0 HA TYR A 67 1.839 -0.472 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.981 -0.006 8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.668 -1.615 8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.949 1.665 7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.733 -2.163 7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.009 2.453 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.792 -1.375 6.634 1.00 0.00 H new ATOM 0 HH TYR A 67 8.836 0.303 5.648 1.00 0.00 H new ATOM 962 N VAL A 68 3.054 -1.644 4.898 1.00 0.00 N ATOM 963 CA VAL A 68 3.671 -2.348 3.776 1.00 0.00 C ATOM 964 C VAL A 68 4.657 -1.419 3.073 1.00 0.00 C ATOM 965 O VAL A 68 4.258 -0.398 2.504 1.00 0.00 O ATOM 966 CB VAL A 68 2.624 -2.919 2.768 1.00 0.00 C ATOM 967 CG1 VAL A 68 1.940 -4.144 3.357 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.574 -1.886 2.357 1.00 0.00 C ATOM 0 H VAL A 68 2.712 -0.710 4.671 1.00 0.00 H new ATOM 0 HA VAL A 68 4.202 -3.210 4.178 1.00 0.00 H new ATOM 0 HB VAL A 68 3.173 -3.197 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.212 -4.532 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.686 -4.910 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.431 -3.868 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.873 -2.339 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.034 -1.545 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.065 -1.037 1.882 1.00 0.00 H new ATOM 978 N GLY A 69 5.940 -1.783 3.119 1.00 0.00 N ATOM 979 CA GLY A 69 6.969 -0.961 2.508 1.00 0.00 C ATOM 980 C GLY A 69 7.911 -1.742 1.619 1.00 0.00 C ATOM 981 O GLY A 69 8.067 -2.957 1.777 1.00 0.00 O ATOM 0 H GLY A 69 6.282 -2.632 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.495 -0.175 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.545 -0.470 3.292 1.00 0.00 H new ATOM 985 N GLY A 70 8.531 -1.025 0.683 1.00 0.00 N ATOM 986 CA GLY A 70 9.470 -1.628 -0.251 1.00 0.00 C ATOM 987 C GLY A 70 8.883 -1.788 -1.640 1.00 0.00 C ATOM 988 O GLY A 70 9.369 -2.599 -2.434 1.00 0.00 O ATOM 0 H GLY A 70 8.397 -0.022 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.368 -1.012 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.776 -2.604 0.125 1.00 0.00 H new ATOM 992 N LEU A 71 7.833 -1.005 -1.929 1.00 0.00 N ATOM 993 CA LEU A 71 7.158 -1.044 -3.229 1.00 0.00 C ATOM 994 C LEU A 71 7.806 -0.063 -4.204 1.00 0.00 C ATOM 995 O LEU A 71 8.542 0.841 -3.797 1.00 0.00 O ATOM 996 CB LEU A 71 5.652 -0.715 -3.109 1.00 0.00 C ATOM 997 CG LEU A 71 4.924 -1.213 -1.855 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.026 -0.191 -0.742 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.466 -1.489 -2.176 1.00 0.00 C ATOM 0 H LEU A 71 7.433 -0.334 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 71 7.261 -2.062 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.538 0.368 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.145 -1.129 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 71 5.397 -2.137 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.504 -0.561 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.075 -0.022 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.573 0.746 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.957 -1.842 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.991 -0.573 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.402 -2.250 -2.953 1.00 0.00 H new ATOM 1011 N ALA A 72 7.516 -0.259 -5.489 1.00 0.00 N ATOM 1012 CA ALA A 72 8.047 0.588 -6.558 1.00 0.00 C ATOM 1013 C ALA A 72 7.119 1.772 -6.829 1.00 0.00 C ATOM 1014 O ALA A 72 5.927 1.717 -6.521 1.00 0.00 O ATOM 1015 CB ALA A 72 8.251 -0.234 -7.825 1.00 0.00 C ATOM 0 H ALA A 72 6.907 -1.008 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 72 9.011 0.984 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.646 0.406 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.956 -1.041 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.297 -0.655 -8.143 1.00 0.00 H new ATOM 1021 N GLU A 73 7.676 2.847 -7.398 1.00 0.00 N ATOM 1022 CA GLU A 73 6.907 4.064 -7.724 1.00 0.00 C ATOM 1023 C GLU A 73 5.835 3.789 -8.778 1.00 0.00 C ATOM 1024 O GLU A 73 4.814 4.481 -8.835 1.00 0.00 O ATOM 1025 CB GLU A 73 7.845 5.168 -8.210 1.00 0.00 C ATOM 1026 CG GLU A 73 8.792 5.647 -7.128 1.00 0.00 C ATOM 1027 CD GLU A 73 9.861 6.584 -7.652 1.00 0.00 C ATOM 1028 OE1 GLU A 73 10.810 6.097 -8.302 1.00 0.00 O ATOM 1029 OE2 GLU A 73 9.751 7.804 -7.412 1.00 0.00 O ATOM 0 H GLU A 73 8.664 2.903 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 73 6.405 4.390 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.424 4.801 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.253 6.010 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.221 6.154 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.269 4.785 -6.662 1.00 0.00 H new ATOM 1036 N GLU A 74 6.089 2.770 -9.607 1.00 0.00 N ATOM 1037 CA GLU A 74 5.163 2.358 -10.666 1.00 0.00 C ATOM 1038 C GLU A 74 3.976 1.556 -10.103 1.00 0.00 C ATOM 1039 O GLU A 74 3.071 1.177 -10.856 1.00 0.00 O ATOM 1040 CB GLU A 74 5.900 1.530 -11.730 1.00 0.00 C ATOM 1041 CG GLU A 74 6.931 2.319 -12.528 1.00 0.00 C ATOM 1042 CD GLU A 74 7.571 1.497 -13.630 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.425 0.643 -13.314 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.219 1.710 -14.809 1.00 0.00 O ATOM 0 H GLU A 74 6.940 2.210 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 74 4.767 3.264 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.398 0.692 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.168 1.109 -12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.453 3.196 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.707 2.682 -11.854 1.00 0.00 H new ATOM 1051 N VAL A 75 3.974 1.311 -8.775 1.00 0.00 N ATOM 1052 CA VAL A 75 2.882 0.549 -8.137 1.00 0.00 C ATOM 1053 C VAL A 75 1.731 1.481 -7.736 1.00 0.00 C ATOM 1054 O VAL A 75 1.963 2.596 -7.256 1.00 0.00 O ATOM 1055 CB VAL A 75 3.347 -0.322 -6.907 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.700 -0.980 -7.160 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.377 0.464 -5.595 1.00 0.00 C ATOM 0 H VAL A 75 4.703 1.624 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 75 2.531 -0.157 -8.890 1.00 0.00 H new ATOM 0 HB VAL A 75 2.594 -1.103 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.986 -1.571 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.631 -1.629 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.451 -0.211 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.705 -0.190 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.069 1.301 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.379 0.842 -5.374 1.00 0.00 H new ATOM 1067 N ASP A 76 0.500 1.012 -7.948 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.701 1.785 -7.618 1.00 0.00 C ATOM 1069 C ASP A 76 -1.577 1.032 -6.604 1.00 0.00 C ATOM 1070 O ASP A 76 -1.200 -0.048 -6.133 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.489 2.135 -8.905 1.00 0.00 C ATOM 1072 CG ASP A 76 -1.791 0.937 -9.800 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -2.272 -0.092 -9.281 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -1.545 1.034 -11.021 1.00 0.00 O ATOM 0 H ASP A 76 0.307 0.094 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.395 2.720 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.429 2.610 -8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.920 2.868 -9.478 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.748 1.607 -6.271 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.691 1.005 -5.309 1.00 0.00 C ATOM 1081 C ASP A 77 -4.197 -0.361 -5.787 1.00 0.00 C ATOM 1082 O ASP A 77 -4.492 -1.243 -4.976 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.881 1.940 -5.068 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.488 3.216 -4.345 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.145 4.205 -5.028 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.522 3.226 -3.097 1.00 0.00 O ATOM 0 H ASP A 77 -3.066 2.496 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.149 0.858 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.337 2.195 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.638 1.415 -4.485 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.289 -0.513 -7.117 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.758 -1.751 -7.760 1.00 0.00 C ATOM 1093 C LYS A 78 -3.748 -2.880 -7.560 1.00 0.00 C ATOM 1094 O LYS A 78 -4.118 -4.033 -7.317 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.967 -1.510 -9.258 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.013 -0.455 -9.573 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.126 -0.224 -11.064 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.049 0.942 -11.370 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.963 1.361 -12.797 1.00 0.00 N ATOM 0 H LYS A 78 -4.039 0.221 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.703 -2.042 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.018 -1.211 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.259 -2.448 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.979 -0.767 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.752 0.479 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.138 -0.028 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.502 -1.126 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.076 0.663 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.793 1.785 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.608 2.159 -12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.989 1.652 -13.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.232 0.565 -13.409 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.463 -2.511 -7.670 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.338 -3.423 -7.505 1.00 0.00 C ATOM 1115 C VAL A 79 -1.259 -3.949 -6.058 1.00 0.00 C ATOM 1116 O VAL A 79 -1.124 -5.157 -5.836 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.016 -2.692 -7.888 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.189 -3.581 -7.687 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.051 -2.191 -9.328 1.00 0.00 C ATOM 0 H VAL A 79 -2.179 -1.554 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.483 -4.279 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 79 0.071 -1.833 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.092 -3.038 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.251 -3.878 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.094 -4.469 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.887 -1.686 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.186 -3.035 -10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.879 -1.492 -9.450 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.362 -3.025 -5.086 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.304 -3.373 -3.660 1.00 0.00 C ATOM 1131 C LEU A 80 -2.530 -4.198 -3.233 1.00 0.00 C ATOM 1132 O LEU A 80 -2.411 -5.144 -2.449 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.205 -2.101 -2.805 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.439 -2.253 -1.481 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.188 -0.930 -1.072 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.352 -2.766 -0.374 1.00 0.00 C ATOM 0 H LEU A 80 -1.486 -2.029 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.414 -3.982 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.723 -1.323 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.214 -1.753 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 80 0.354 -2.985 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.726 -1.057 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.882 -0.602 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.594 -0.181 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.783 -2.864 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.171 -2.063 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.755 -3.738 -0.656 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.702 -3.826 -3.775 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.974 -4.503 -3.478 1.00 0.00 C ATOM 1150 C HIS A 81 -5.003 -5.931 -4.053 1.00 0.00 C ATOM 1151 O HIS A 81 -5.359 -6.884 -3.355 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.138 -3.676 -4.046 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.454 -3.900 -3.360 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.956 -3.049 -2.399 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.377 -4.881 -3.510 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.129 -3.495 -1.987 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.407 -4.604 -2.645 1.00 0.00 N ATOM 0 H HIS A 81 -3.793 -3.049 -4.430 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.075 -4.584 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.883 -2.618 -3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.250 -3.910 -5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.314 -5.723 -4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.754 -3.031 -1.239 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.251 -5.165 -2.530 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.613 -6.058 -5.330 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.586 -7.345 -6.039 1.00 0.00 C ATOM 1168 C ALA A 82 -3.475 -8.286 -5.548 1.00 0.00 C ATOM 1169 O ALA A 82 -3.553 -9.499 -5.765 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.443 -7.109 -7.536 1.00 0.00 C ATOM 0 H ALA A 82 -4.307 -5.270 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.533 -7.841 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.424 -8.067 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.287 -6.519 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.516 -6.571 -7.733 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.447 -7.723 -4.888 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.311 -8.507 -4.395 1.00 0.00 C ATOM 1178 C ALA A 83 -1.616 -9.136 -3.041 1.00 0.00 C ATOM 1179 O ALA A 83 -1.170 -10.248 -2.745 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.071 -7.629 -4.301 1.00 0.00 C ATOM 0 H ALA A 83 -2.384 -6.725 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.126 -9.314 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.767 -8.221 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.170 -7.232 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.261 -6.804 -3.615 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.382 -8.403 -2.235 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.763 -8.843 -0.899 1.00 0.00 C ATOM 1188 C PHE A 84 -4.184 -9.427 -0.858 1.00 0.00 C ATOM 1189 O PHE A 84 -4.635 -9.892 0.194 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.659 -7.659 0.058 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.248 -7.250 0.382 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.557 -6.375 -0.443 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.612 -7.743 1.510 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.738 -5.997 -0.147 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.684 -7.368 1.811 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.360 -6.496 0.981 1.00 0.00 C ATOM 0 H PHE A 84 -2.754 -7.489 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.083 -9.640 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.181 -6.807 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.175 -7.909 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.038 -5.984 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.135 -8.428 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.263 -5.312 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.168 -7.757 2.695 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.374 -6.204 1.213 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.880 -9.415 -2.010 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.256 -9.930 -2.108 1.00 0.00 C ATOM 1208 C ILE A 85 -6.366 -11.483 -1.939 1.00 0.00 C ATOM 1209 O ILE A 85 -7.385 -11.940 -1.415 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.969 -9.426 -3.419 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.494 -9.640 -3.349 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.402 -10.069 -4.686 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.242 -8.568 -2.572 1.00 0.00 C ATOM 0 H ILE A 85 -4.509 -9.053 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.790 -9.512 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.767 -8.357 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.890 -9.680 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.692 -10.609 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.931 -9.684 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.342 -9.831 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.528 -11.150 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.308 -8.795 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.877 -8.541 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.078 -7.598 -3.041 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.355 -12.327 -2.368 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.437 -13.801 -2.205 1.00 0.00 C ATOM 1227 C PRO A 86 -5.645 -14.256 -0.750 1.00 0.00 C ATOM 1228 O PRO A 86 -6.173 -15.345 -0.508 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.089 -14.320 -2.724 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.202 -13.127 -2.806 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.100 -11.954 -3.062 1.00 0.00 C ATOM 0 HA PRO A 86 -6.301 -14.189 -2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.674 -15.071 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.201 -14.792 -3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.642 -12.994 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.471 -13.240 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.679 -11.031 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.262 -11.796 -4.128 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.225 -13.411 0.207 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.357 -13.712 1.644 1.00 0.00 C ATOM 1241 C PHE A 87 -6.780 -13.444 2.149 1.00 0.00 C ATOM 1242 O PHE A 87 -7.256 -14.118 3.067 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.362 -12.877 2.470 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.932 -12.984 2.007 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.156 -14.084 2.341 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.369 -11.981 1.230 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.849 -14.184 1.908 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.061 -12.076 0.797 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.300 -13.179 1.136 1.00 0.00 C ATOM 0 H PHE A 87 -4.789 -12.510 0.010 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.136 -14.772 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.666 -11.831 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.419 -13.191 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.579 -14.872 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.960 -11.118 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.256 -15.047 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.633 -11.289 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.723 -13.255 0.798 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.442 -12.455 1.535 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.799 -12.092 1.914 1.00 0.00 C ATOM 1261 C GLY A 88 -9.280 -10.840 1.204 1.00 0.00 C ATOM 1262 O GLY A 88 -8.625 -10.358 0.274 1.00 0.00 O ATOM 0 H GLY A 88 -7.054 -11.897 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.471 -12.918 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.843 -11.935 2.992 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.427 -10.314 1.647 1.00 0.00 N ATOM 1267 CA ASP A 89 -11.013 -9.107 1.060 1.00 0.00 C ATOM 1268 C ASP A 89 -10.426 -7.848 1.708 1.00 0.00 C ATOM 1269 O ASP A 89 -10.371 -7.741 2.936 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.536 -9.125 1.225 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.256 -8.286 0.184 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.598 -8.831 -0.886 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.476 -7.083 0.441 1.00 0.00 O ATOM 0 H ASP A 89 -10.970 -10.709 2.415 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.772 -9.090 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.890 -10.154 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.792 -8.759 2.219 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.994 -6.909 0.863 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.400 -5.650 1.325 1.00 0.00 C ATOM 1280 C ILE A 90 -10.392 -4.502 1.127 1.00 0.00 C ATOM 1281 O ILE A 90 -11.104 -4.453 0.120 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.058 -5.347 0.590 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.075 -6.510 0.776 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.417 -4.049 1.090 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.326 -6.877 -0.484 1.00 0.00 C ATOM 0 H ILE A 90 -10.045 -6.997 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.176 -5.750 2.387 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.287 -5.226 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.356 -6.247 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.622 -7.384 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.485 -3.873 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.098 -3.216 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.211 -4.132 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.650 -7.706 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.036 -7.172 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.751 -6.018 -0.829 1.00 0.00 H new ATOM 1297 N THR A 91 -10.420 -3.589 2.103 1.00 0.00 N ATOM 1298 CA THR A 91 -11.327 -2.440 2.076 1.00 0.00 C ATOM 1299 C THR A 91 -10.729 -1.229 1.349 1.00 0.00 C ATOM 1300 O THR A 91 -11.291 -0.778 0.346 1.00 0.00 O ATOM 1301 CB THR A 91 -11.752 -2.023 3.503 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.645 -2.138 4.406 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.907 -2.881 3.996 1.00 0.00 C ATOM 0 H THR A 91 -9.820 -3.626 2.927 1.00 0.00 H new ATOM 0 HA THR A 91 -12.204 -2.768 1.518 1.00 0.00 H new ATOM 0 HB THR A 91 -12.079 -0.984 3.467 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.857 -1.676 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.188 -2.569 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.760 -2.762 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.602 -3.927 4.013 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.591 -0.706 1.848 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.954 0.478 1.243 1.00 0.00 C ATOM 1313 C ASP A 92 -7.425 0.449 1.334 1.00 0.00 C ATOM 1314 O ASP A 92 -6.854 -0.172 2.235 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.459 1.761 1.933 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.920 2.070 1.640 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.339 1.940 0.467 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.646 2.441 2.586 1.00 0.00 O ATOM 0 H ASP A 92 -9.100 -1.081 2.659 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.228 0.466 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.325 1.662 3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.846 2.603 1.612 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.786 1.135 0.374 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.325 1.276 0.323 1.00 0.00 C ATOM 1325 C ILE A 93 -4.992 2.772 0.385 1.00 0.00 C ATOM 1326 O ILE A 93 -5.452 3.541 -0.466 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.695 0.645 -0.974 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -5.114 -0.838 -1.196 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.164 0.755 -0.962 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -5.037 -1.745 0.029 1.00 0.00 C ATOM 0 H ILE A 93 -7.270 1.608 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.899 0.736 1.168 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.092 1.225 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.137 -0.854 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.482 -1.261 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.760 0.310 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.875 1.805 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.768 0.228 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.352 -2.752 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.012 -1.772 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.693 -1.359 0.809 1.00 0.00 H new ATOM 1342 N GLN A 94 -4.200 3.174 1.384 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.834 4.583 1.546 1.00 0.00 C ATOM 1344 C GLN A 94 -2.317 4.779 1.491 1.00 0.00 C ATOM 1345 O GLN A 94 -1.569 4.139 2.237 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.404 5.126 2.869 1.00 0.00 C ATOM 1347 CG GLN A 94 -4.588 6.646 2.906 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.804 7.120 2.124 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.937 6.740 2.419 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.570 7.955 1.118 1.00 0.00 N ATOM 0 H GLN A 94 -3.804 2.550 2.086 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.266 5.143 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.367 4.652 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.741 4.833 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.682 6.969 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.695 7.124 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.615 8.245 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.345 8.306 0.556 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.886 5.673 0.595 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.466 5.993 0.416 1.00 0.00 C ATOM 1361 C ILE A 95 -0.257 7.519 0.516 1.00 0.00 C ATOM 1362 O ILE A 95 -0.801 8.258 -0.311 1.00 0.00 O ATOM 1363 CB ILE A 95 0.096 5.483 -0.952 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.488 4.113 -1.329 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.622 5.395 -0.921 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.694 4.194 -2.235 1.00 0.00 C ATOM 0 H ILE A 95 -2.508 6.193 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 95 0.080 5.481 1.208 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.205 6.208 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.285 3.521 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.765 3.583 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.986 5.038 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.039 6.381 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.931 4.703 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.050 3.188 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.484 4.757 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.419 4.695 -3.163 1.00 0.00 H new ATOM 1378 N PRO A 96 0.526 8.025 1.524 1.00 0.00 N ATOM 1379 CA PRO A 96 0.772 9.476 1.672 1.00 0.00 C ATOM 1380 C PRO A 96 1.626 10.048 0.529 1.00 0.00 C ATOM 1381 O PRO A 96 2.749 9.592 0.291 1.00 0.00 O ATOM 1382 CB PRO A 96 1.499 9.595 3.020 1.00 0.00 C ATOM 1383 CG PRO A 96 2.091 8.247 3.281 1.00 0.00 C ATOM 1384 CD PRO A 96 1.208 7.243 2.587 1.00 0.00 C ATOM 0 HA PRO A 96 -0.155 10.047 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.273 10.362 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.808 9.880 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.111 8.193 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.138 8.046 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.792 6.424 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.490 6.800 3.278 1.00 0.00 H new ATOM 1392 N LEU A 97 1.069 11.040 -0.174 1.00 0.00 N ATOM 1393 CA LEU A 97 1.748 11.675 -1.304 1.00 0.00 C ATOM 1394 C LEU A 97 1.882 13.185 -1.088 1.00 0.00 C ATOM 1395 O LEU A 97 0.933 13.840 -0.646 1.00 0.00 O ATOM 1396 CB LEU A 97 0.972 11.388 -2.599 1.00 0.00 C ATOM 1397 CG LEU A 97 1.755 11.561 -3.905 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.426 10.254 -4.306 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.832 12.049 -5.011 1.00 0.00 C ATOM 0 H LEU A 97 0.144 11.421 0.023 1.00 0.00 H new ATOM 0 HA LEU A 97 2.752 11.259 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.598 10.365 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.102 12.044 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 97 2.533 12.308 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.977 10.398 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.115 9.943 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.667 9.485 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.401 12.168 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.035 11.322 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.398 13.007 -4.726 1.00 0.00 H new ATOM 1411 N ASP A 98 3.070 13.722 -1.404 1.00 0.00 N ATOM 1412 CA ASP A 98 3.347 15.160 -1.265 1.00 0.00 C ATOM 1413 C ASP A 98 2.923 15.915 -2.523 1.00 0.00 C ATOM 1414 O ASP A 98 3.122 15.432 -3.636 1.00 0.00 O ATOM 1415 CB ASP A 98 4.839 15.409 -0.995 1.00 0.00 C ATOM 1416 CG ASP A 98 5.324 14.802 0.315 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.617 14.934 1.338 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.416 14.193 0.315 1.00 0.00 O ATOM 0 H ASP A 98 3.857 13.179 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 98 2.770 15.527 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.424 14.996 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.024 16.483 -0.980 1.00 0.00 H new ATOM 1423 N TYR A 99 2.326 17.099 -2.331 1.00 0.00 N ATOM 1424 CA TYR A 99 1.863 17.951 -3.444 1.00 0.00 C ATOM 1425 C TYR A 99 3.012 18.468 -4.321 1.00 0.00 C ATOM 1426 O TYR A 99 2.859 18.616 -5.536 1.00 0.00 O ATOM 1427 CB TYR A 99 1.071 19.144 -2.898 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.253 18.772 -2.267 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.355 18.485 -3.056 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.399 18.714 -0.886 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.571 18.150 -2.493 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.610 18.378 -0.312 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.693 18.098 -1.119 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.902 17.763 -0.552 1.00 0.00 O ATOM 0 H TYR A 99 2.149 17.495 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 99 1.228 17.325 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.681 19.663 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.889 19.847 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.262 18.524 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.447 18.935 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.420 17.930 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.708 18.335 0.763 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.819 17.771 0.424 1.00 0.00 H new ATOM 1444 N GLU A 100 4.154 18.734 -3.679 1.00 0.00 N ATOM 1445 CA GLU A 100 5.354 19.271 -4.343 1.00 0.00 C ATOM 1446 C GLU A 100 5.985 18.289 -5.354 1.00 0.00 C ATOM 1447 O GLU A 100 6.381 18.703 -6.448 1.00 0.00 O ATOM 1448 CB GLU A 100 6.385 19.663 -3.269 1.00 0.00 C ATOM 1449 CG GLU A 100 7.532 20.538 -3.772 1.00 0.00 C ATOM 1450 CD GLU A 100 8.596 20.779 -2.716 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.239 19.799 -2.281 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.787 21.950 -2.325 1.00 0.00 O ATOM 0 H GLU A 100 4.276 18.583 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 100 5.046 20.143 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.870 20.190 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.803 18.754 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.990 20.065 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.133 21.496 -4.104 1.00 0.00 H new ATOM 1459 N THR A 101 6.075 17.006 -4.985 1.00 0.00 N ATOM 1460 CA THR A 101 6.688 15.991 -5.856 1.00 0.00 C ATOM 1461 C THR A 101 5.672 15.024 -6.453 1.00 0.00 C ATOM 1462 O THR A 101 5.899 14.486 -7.538 1.00 0.00 O ATOM 1463 CB THR A 101 7.757 15.176 -5.096 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.234 14.725 -3.840 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.016 16.002 -4.863 1.00 0.00 C ATOM 0 H THR A 101 5.734 16.645 -4.094 1.00 0.00 H new ATOM 0 HA THR A 101 7.149 16.548 -6.672 1.00 0.00 H new ATOM 0 HB THR A 101 8.020 14.314 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.919 14.208 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.751 15.402 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.431 16.311 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.768 16.885 -4.274 1.00 0.00 H new ATOM 1473 N GLU A 102 4.538 14.817 -5.755 1.00 0.00 N ATOM 1474 CA GLU A 102 3.469 13.883 -6.196 1.00 0.00 C ATOM 1475 C GLU A 102 4.012 12.449 -6.381 1.00 0.00 C ATOM 1476 O GLU A 102 3.448 11.643 -7.133 1.00 0.00 O ATOM 1477 CB GLU A 102 2.788 14.382 -7.496 1.00 0.00 C ATOM 1478 CG GLU A 102 1.915 15.628 -7.327 1.00 0.00 C ATOM 1479 CD GLU A 102 0.695 15.413 -6.437 1.00 0.00 C ATOM 1480 OE1 GLU A 102 -0.077 14.464 -6.698 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.515 16.196 -5.482 1.00 0.00 O ATOM 0 H GLU A 102 4.332 15.287 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 102 2.717 13.857 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.560 14.594 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.173 13.577 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.522 16.430 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.581 15.962 -8.310 1.00 0.00 H new ATOM 1488 N LYS A 103 5.106 12.146 -5.668 1.00 0.00 N ATOM 1489 CA LYS A 103 5.756 10.834 -5.738 1.00 0.00 C ATOM 1490 C LYS A 103 5.864 10.221 -4.341 1.00 0.00 C ATOM 1491 O LYS A 103 5.884 10.949 -3.342 1.00 0.00 O ATOM 1492 CB LYS A 103 7.166 10.941 -6.354 1.00 0.00 C ATOM 1493 CG LYS A 103 7.261 11.813 -7.607 1.00 0.00 C ATOM 1494 CD LYS A 103 8.301 11.279 -8.581 1.00 0.00 C ATOM 1495 CE LYS A 103 8.448 12.187 -9.792 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.152 11.507 -10.915 1.00 0.00 N ATOM 0 H LYS A 103 5.561 12.800 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 103 5.143 10.196 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.846 11.339 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.515 9.938 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.289 11.854 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.518 12.834 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.262 11.187 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.016 10.279 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.462 12.511 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.999 13.084 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.232 12.160 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.103 11.221 -10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.614 10.665 -11.203 1.00 0.00 H new ATOM 1510 N HIS A 104 5.937 8.886 -4.280 1.00 0.00 N ATOM 1511 CA HIS A 104 6.054 8.181 -3.002 1.00 0.00 C ATOM 1512 C HIS A 104 7.394 7.451 -2.905 1.00 0.00 C ATOM 1513 O HIS A 104 7.941 7.003 -3.917 1.00 0.00 O ATOM 1514 CB HIS A 104 4.875 7.206 -2.801 1.00 0.00 C ATOM 1515 CG HIS A 104 4.860 6.017 -3.725 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.469 4.818 -3.416 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.295 5.848 -4.944 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.277 3.962 -4.407 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.569 4.563 -5.344 1.00 0.00 N ATOM 0 H HIS A 104 5.917 8.276 -5.098 1.00 0.00 H new ATOM 0 HA HIS A 104 6.016 8.920 -2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.894 6.846 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.943 7.757 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.734 6.586 -5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.638 2.945 -4.443 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.273 4.141 -6.224 1.00 0.00 H new ATOM 1528 N ARG A 105 7.908 7.338 -1.675 1.00 0.00 N ATOM 1529 CA ARG A 105 9.189 6.664 -1.407 1.00 0.00 C ATOM 1530 C ARG A 105 9.092 5.140 -1.575 1.00 0.00 C ATOM 1531 O ARG A 105 10.119 4.460 -1.665 1.00 0.00 O ATOM 1532 CB ARG A 105 9.695 7.003 0.000 1.00 0.00 C ATOM 1533 CG ARG A 105 10.086 8.465 0.179 1.00 0.00 C ATOM 1534 CD ARG A 105 10.673 8.724 1.557 1.00 0.00 C ATOM 1535 NE ARG A 105 10.916 10.152 1.792 1.00 0.00 N ATOM 1536 CZ ARG A 105 12.120 10.741 1.739 1.00 0.00 C ATOM 1537 NH1 ARG A 105 13.218 10.040 1.461 1.00 0.00 N ATOM 1538 NH2 ARG A 105 12.223 12.044 1.967 1.00 0.00 N ATOM 0 H ARG A 105 7.453 7.708 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 105 9.900 7.033 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.920 6.753 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.557 6.376 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.812 8.744 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.210 9.097 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.993 8.342 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.609 8.175 1.661 1.00 0.00 H new ATOM 0 HE ARG A 105 10.111 10.739 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.152 9.038 1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.125 10.506 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.390 12.592 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.136 12.498 1.928 1.00 0.00 H new ATOM 1552 N GLY A 106 7.857 4.617 -1.617 1.00 0.00 N ATOM 1553 CA GLY A 106 7.653 3.185 -1.777 1.00 0.00 C ATOM 1554 C GLY A 106 7.099 2.500 -0.540 1.00 0.00 C ATOM 1555 O GLY A 106 7.527 1.392 -0.212 1.00 0.00 O ATOM 0 H GLY A 106 6.999 5.164 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.971 3.016 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.602 2.720 -2.043 1.00 0.00 H new ATOM 1559 N PHE A 107 6.163 3.165 0.161 1.00 0.00 N ATOM 1560 CA PHE A 107 5.524 2.579 1.343 1.00 0.00 C ATOM 1561 C PHE A 107 4.052 2.992 1.427 1.00 0.00 C ATOM 1562 O PHE A 107 3.677 4.083 0.987 1.00 0.00 O ATOM 1563 CB PHE A 107 6.284 2.919 2.648 1.00 0.00 C ATOM 1564 CG PHE A 107 6.260 4.369 3.061 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.217 5.256 2.600 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.280 4.832 3.923 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.193 6.585 2.991 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.250 6.157 4.316 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.208 7.033 3.849 1.00 0.00 C ATOM 0 H PHE A 107 5.837 4.103 -0.072 1.00 0.00 H new ATOM 0 HA PHE A 107 5.566 1.496 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.863 2.323 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.323 2.611 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.989 4.909 1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.530 4.149 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 107 7.944 7.270 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.479 6.505 4.987 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.188 8.069 4.154 1.00 0.00 H new ATOM 1579 N ALA A 108 3.231 2.101 2.001 1.00 0.00 N ATOM 1580 CA ALA A 108 1.784 2.320 2.146 1.00 0.00 C ATOM 1581 C ALA A 108 1.211 1.479 3.292 1.00 0.00 C ATOM 1582 O ALA A 108 1.914 0.645 3.868 1.00 0.00 O ATOM 1583 CB ALA A 108 1.071 1.965 0.842 1.00 0.00 C ATOM 0 H ALA A 108 3.551 1.209 2.378 1.00 0.00 H new ATOM 0 HA ALA A 108 1.622 3.373 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.000 2.130 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.451 2.594 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.253 0.918 0.601 1.00 0.00 H new ATOM 1589 N PHE A 109 -0.056 1.736 3.638 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.754 0.976 4.679 1.00 0.00 C ATOM 1591 C PHE A 109 -1.952 0.269 4.053 1.00 0.00 C ATOM 1592 O PHE A 109 -2.581 0.809 3.136 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.214 1.881 5.831 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.088 2.596 6.532 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.348 3.837 6.092 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.533 2.023 7.631 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.381 4.492 6.735 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.567 2.674 8.277 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.991 3.909 7.830 1.00 0.00 C ATOM 0 H PHE A 109 -0.621 2.469 3.209 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.063 0.245 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.914 2.620 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.758 1.278 6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.125 4.297 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.205 1.057 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.711 5.458 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.043 2.216 9.132 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.798 4.419 8.335 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.270 -0.928 4.547 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.386 -1.708 4.006 1.00 0.00 C ATOM 1611 C VAL A 110 -4.464 -1.961 5.073 1.00 0.00 C ATOM 1612 O VAL A 110 -4.157 -2.269 6.228 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.876 -3.042 3.350 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.162 -3.959 4.344 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -4.008 -3.792 2.646 1.00 0.00 C ATOM 0 H VAL A 110 -1.774 -1.378 5.317 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.856 -1.121 3.217 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.140 -2.745 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.833 -4.864 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.297 -3.442 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.846 -4.226 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.618 -4.709 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.785 -4.040 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.429 -3.163 1.862 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.725 -1.822 4.646 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.883 -2.013 5.514 1.00 0.00 C ATOM 1627 C GLU A 111 -7.596 -3.326 5.166 1.00 0.00 C ATOM 1628 O GLU A 111 -7.916 -3.571 4.001 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.839 -0.820 5.336 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.855 -0.642 6.455 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.897 0.413 6.135 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.539 1.609 6.093 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -11.072 0.044 5.929 1.00 0.00 O ATOM 0 H GLU A 111 -5.967 -1.573 3.687 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.559 -2.069 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.248 0.092 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.374 -0.939 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.353 -1.593 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.335 -0.367 7.373 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.845 -4.153 6.185 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.531 -5.433 5.999 1.00 0.00 C ATOM 1642 C PHE A 112 -9.857 -5.454 6.752 1.00 0.00 C ATOM 1643 O PHE A 112 -9.978 -4.857 7.823 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.654 -6.596 6.470 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.596 -7.011 5.484 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.871 -7.964 4.515 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.326 -6.456 5.526 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -5.903 -8.356 3.612 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.357 -6.845 4.622 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.647 -7.794 3.666 1.00 0.00 C ATOM 0 H PHE A 112 -7.580 -3.957 7.150 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.728 -5.549 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.172 -6.316 7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.292 -7.454 6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.855 -8.405 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.092 -5.712 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.130 -9.102 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.372 -6.405 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.889 -8.097 2.959 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.850 -6.146 6.173 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.185 -6.278 6.779 1.00 0.00 C ATOM 1662 C GLU A 113 -12.136 -7.188 8.022 1.00 0.00 C ATOM 1663 O GLU A 113 -12.827 -6.937 9.013 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.174 -6.826 5.736 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.644 -6.694 6.120 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.576 -7.357 5.123 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.504 -8.596 4.971 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.379 -6.637 4.492 1.00 0.00 O ATOM 0 H GLU A 113 -10.753 -6.627 5.279 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.524 -5.295 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.011 -6.306 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.951 -7.879 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.798 -7.137 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.900 -5.638 6.202 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.310 -8.239 7.942 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.140 -9.194 9.037 1.00 0.00 C ATOM 1677 C LEU A 114 -9.789 -9.014 9.714 1.00 0.00 C ATOM 1678 O LEU A 114 -8.792 -8.712 9.056 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.253 -10.636 8.520 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.677 -11.171 8.320 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.261 -10.706 6.992 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.677 -12.689 8.394 1.00 0.00 C ATOM 0 H LEU A 114 -10.745 -8.448 7.119 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.931 -9.004 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.725 -10.702 7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.735 -11.293 9.219 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.304 -10.774 9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.270 -11.102 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.294 -9.617 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.637 -11.067 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.692 -13.060 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.030 -13.091 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.309 -13.006 9.370 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.772 -9.189 11.039 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.540 -9.088 11.831 1.00 0.00 C ATOM 1696 C ALA A 115 -7.663 -10.335 11.635 1.00 0.00 C ATOM 1697 O ALA A 115 -6.439 -10.279 11.789 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.874 -8.901 13.303 1.00 0.00 C ATOM 0 H ALA A 115 -10.603 -9.403 11.590 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.980 -8.219 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.951 -8.828 13.879 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.455 -7.988 13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.455 -9.753 13.655 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.323 -11.455 11.286 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.659 -12.747 11.056 1.00 0.00 C ATOM 1706 C GLU A 116 -6.833 -12.755 9.763 1.00 0.00 C ATOM 1707 O GLU A 116 -5.675 -13.187 9.764 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.712 -13.864 10.996 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.344 -14.221 12.341 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.372 -14.849 13.334 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -7.695 -15.835 12.970 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -8.290 -14.350 14.476 1.00 0.00 O ATOM 0 H GLU A 116 -9.334 -11.487 11.156 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.973 -12.914 11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.502 -13.563 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.249 -14.758 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.767 -13.319 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.171 -14.911 12.171 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.439 -12.266 8.667 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.769 -12.208 7.356 1.00 0.00 C ATOM 1721 C ASP A 117 -5.599 -11.207 7.351 1.00 0.00 C ATOM 1722 O ASP A 117 -4.605 -11.410 6.648 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.785 -11.925 6.220 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.541 -10.599 6.323 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.969 -9.609 6.818 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.714 -10.560 5.895 1.00 0.00 O ATOM 0 H ASP A 117 -8.393 -11.905 8.663 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.335 -13.190 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.254 -11.947 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.513 -12.736 6.197 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.738 -10.132 8.147 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.709 -9.090 8.275 1.00 0.00 C ATOM 1733 C ALA A 118 -3.438 -9.639 8.932 1.00 0.00 C ATOM 1734 O ALA A 118 -2.323 -9.379 8.462 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.254 -7.926 9.083 1.00 0.00 C ATOM 0 H ALA A 118 -6.566 -9.963 8.718 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.446 -8.746 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.488 -7.156 9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.127 -7.510 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.540 -8.274 10.076 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.622 -10.409 10.021 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.506 -11.034 10.741 1.00 0.00 C ATOM 1743 C ALA A 119 -1.814 -12.067 9.850 1.00 0.00 C ATOM 1744 O ALA A 119 -0.606 -12.302 9.965 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.002 -11.687 12.025 1.00 0.00 C ATOM 0 H ALA A 119 -4.539 -10.611 10.420 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.784 -10.261 11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.163 -12.146 12.547 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.458 -10.932 12.665 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.740 -12.451 11.783 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.611 -12.660 8.946 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.123 -13.658 7.985 1.00 0.00 C ATOM 1753 C ALA A 120 -1.215 -13.012 6.937 1.00 0.00 C ATOM 1754 O ALA A 120 -0.251 -13.627 6.470 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.293 -14.358 7.307 1.00 0.00 C ATOM 0 H ALA A 120 -3.608 -12.461 8.862 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.539 -14.397 8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.915 -15.094 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.903 -14.858 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.900 -13.623 6.778 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.539 -11.756 6.588 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.772 -10.976 5.612 1.00 0.00 C ATOM 1763 C ALA A 121 0.612 -10.596 6.151 1.00 0.00 C ATOM 1764 O ALA A 121 1.591 -10.590 5.401 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.548 -9.728 5.211 1.00 0.00 C ATOM 0 H ALA A 121 -2.339 -11.257 6.976 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.620 -11.601 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.969 -9.157 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.500 -10.019 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.731 -9.115 6.093 1.00 0.00 H new ATOM 1771 N ILE A 122 0.680 -10.278 7.461 1.00 0.00 N ATOM 1772 CA ILE A 122 1.948 -9.896 8.112 1.00 0.00 C ATOM 1773 C ILE A 122 2.945 -11.067 8.169 1.00 0.00 C ATOM 1774 O ILE A 122 4.111 -10.898 7.818 1.00 0.00 O ATOM 1775 CB ILE A 122 1.734 -9.318 9.551 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.838 -8.063 9.503 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.083 -8.978 10.211 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.290 -7.623 10.851 1.00 0.00 C ATOM 0 H ILE A 122 -0.126 -10.279 8.086 1.00 0.00 H new ATOM 0 HA ILE A 122 2.370 -9.108 7.488 1.00 0.00 H new ATOM 0 HB ILE A 122 1.238 -10.082 10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.410 -7.241 9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.002 -8.256 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.909 -8.578 11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.691 -9.880 10.282 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.606 -8.235 9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.328 -6.735 10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.313 -8.425 11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.117 -7.394 11.523 1.00 0.00 H new ATOM 1790 N ASP A 123 2.476 -12.246 8.604 1.00 0.00 N ATOM 1791 CA ASP A 123 3.346 -13.431 8.735 1.00 0.00 C ATOM 1792 C ASP A 123 3.853 -13.981 7.387 1.00 0.00 C ATOM 1793 O ASP A 123 4.979 -14.479 7.306 1.00 0.00 O ATOM 1794 CB ASP A 123 2.634 -14.541 9.538 1.00 0.00 C ATOM 1795 CG ASP A 123 1.436 -15.153 8.829 1.00 0.00 C ATOM 1796 OD1 ASP A 123 1.624 -16.143 8.091 1.00 0.00 O ATOM 1797 OD2 ASP A 123 0.320 -14.639 9.013 1.00 0.00 O ATOM 0 H ASP A 123 1.505 -12.407 8.871 1.00 0.00 H new ATOM 0 HA ASP A 123 4.230 -13.097 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 123 3.352 -15.330 9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.306 -14.130 10.493 1.00 0.00 H new ATOM 1802 N ASN A 124 3.018 -13.886 6.344 1.00 0.00 N ATOM 1803 CA ASN A 124 3.365 -14.416 5.017 1.00 0.00 C ATOM 1804 C ASN A 124 4.119 -13.427 4.114 1.00 0.00 C ATOM 1805 O ASN A 124 4.987 -13.850 3.344 1.00 0.00 O ATOM 1806 CB ASN A 124 2.101 -14.898 4.295 1.00 0.00 C ATOM 1807 CG ASN A 124 1.467 -16.113 4.956 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.144 -17.095 5.268 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.159 -16.051 5.173 1.00 0.00 N ATOM 0 H ASN A 124 2.098 -13.448 6.392 1.00 0.00 H new ATOM 0 HA ASN A 124 4.049 -15.244 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.374 -14.086 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.349 -15.141 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -0.323 -16.835 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.364 -15.219 4.899 1.00 0.00 H new ATOM 1816 N MET A 125 3.800 -12.129 4.202 1.00 0.00 N ATOM 1817 CA MET A 125 4.437 -11.127 3.329 1.00 0.00 C ATOM 1818 C MET A 125 5.391 -10.166 4.060 1.00 0.00 C ATOM 1819 O MET A 125 5.795 -9.148 3.486 1.00 0.00 O ATOM 1820 CB MET A 125 3.362 -10.335 2.570 1.00 0.00 C ATOM 1821 CG MET A 125 2.629 -11.159 1.518 1.00 0.00 C ATOM 1822 SD MET A 125 1.544 -10.169 0.466 1.00 0.00 S ATOM 1823 CE MET A 125 2.718 -9.426 -0.668 1.00 0.00 C ATOM 0 H MET A 125 3.116 -11.750 4.857 1.00 0.00 H new ATOM 0 HA MET A 125 5.060 -11.687 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.637 -9.945 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.828 -9.476 2.087 1.00 0.00 H new ATOM 0 HG2 MET A 125 3.360 -11.672 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.039 -11.929 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.251 -9.302 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.026 -8.453 -0.286 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.591 -10.072 -0.763 1.00 0.00 H new ATOM 1833 N ASN A 126 5.781 -10.495 5.306 1.00 0.00 N ATOM 1834 CA ASN A 126 6.700 -9.642 6.094 1.00 0.00 C ATOM 1835 C ASN A 126 8.035 -9.414 5.356 1.00 0.00 C ATOM 1836 O ASN A 126 8.612 -8.327 5.423 1.00 0.00 O ATOM 1837 CB ASN A 126 6.969 -10.275 7.467 1.00 0.00 C ATOM 1838 CG ASN A 126 7.414 -9.266 8.517 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.314 -8.459 8.281 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.781 -9.309 9.684 1.00 0.00 N ATOM 0 H ASN A 126 5.478 -11.340 5.789 1.00 0.00 H new ATOM 0 HA ASN A 126 6.216 -8.674 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.064 -10.774 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.736 -11.042 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.035 -8.657 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.041 -9.994 9.838 1.00 0.00 H new ATOM 1847 N GLU A 127 8.505 -10.461 4.666 1.00 0.00 N ATOM 1848 CA GLU A 127 9.751 -10.415 3.892 1.00 0.00 C ATOM 1849 C GLU A 127 9.595 -11.227 2.605 1.00 0.00 C ATOM 1850 O GLU A 127 10.072 -12.365 2.493 1.00 0.00 O ATOM 1851 CB GLU A 127 10.938 -10.924 4.726 1.00 0.00 C ATOM 1852 CG GLU A 127 11.379 -9.947 5.801 1.00 0.00 C ATOM 1853 CD GLU A 127 12.476 -10.507 6.686 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.167 -11.355 7.549 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.643 -10.098 6.515 1.00 0.00 O ATOM 0 H GLU A 127 8.032 -11.364 4.629 1.00 0.00 H new ATOM 0 HA GLU A 127 9.959 -9.378 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.665 -11.870 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.779 -11.127 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.731 -9.029 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.521 -9.680 6.418 1.00 0.00 H new ATOM 1862 N SER A 128 8.901 -10.622 1.642 1.00 0.00 N ATOM 1863 CA SER A 128 8.640 -11.253 0.346 1.00 0.00 C ATOM 1864 C SER A 128 9.068 -10.343 -0.806 1.00 0.00 C ATOM 1865 O SER A 128 9.169 -9.126 -0.640 1.00 0.00 O ATOM 1866 CB SER A 128 7.153 -11.603 0.218 1.00 0.00 C ATOM 1867 OG SER A 128 6.909 -12.407 -0.925 1.00 0.00 O ATOM 0 H SER A 128 8.505 -9.687 1.735 1.00 0.00 H new ATOM 0 HA SER A 128 9.228 -12.169 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.823 -12.130 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.566 -10.687 0.153 1.00 0.00 H new ATOM 0 HG SER A 128 5.953 -12.616 -0.980 1.00 0.00 H new ATOM 1873 N GLU A 129 9.329 -10.955 -1.967 1.00 0.00 N ATOM 1874 CA GLU A 129 9.743 -10.220 -3.157 1.00 0.00 C ATOM 1875 C GLU A 129 8.528 -9.868 -4.027 1.00 0.00 C ATOM 1876 O GLU A 129 7.809 -10.755 -4.501 1.00 0.00 O ATOM 1877 CB GLU A 129 10.754 -11.059 -3.952 1.00 0.00 C ATOM 1878 CG GLU A 129 11.648 -10.244 -4.870 1.00 0.00 C ATOM 1879 CD GLU A 129 12.567 -11.106 -5.713 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.492 -11.724 -5.144 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.363 -11.165 -6.944 1.00 0.00 O ATOM 0 H GLU A 129 9.259 -11.963 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 129 10.217 -9.287 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.379 -11.614 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.212 -11.793 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.027 -9.634 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.248 -9.559 -4.271 1.00 0.00 H new ATOM 1888 N LEU A 130 8.316 -8.565 -4.213 1.00 0.00 N ATOM 1889 CA LEU A 130 7.210 -8.049 -5.020 1.00 0.00 C ATOM 1890 C LEU A 130 7.728 -7.006 -6.010 1.00 0.00 C ATOM 1891 O LEU A 130 8.453 -6.086 -5.623 1.00 0.00 O ATOM 1892 CB LEU A 130 6.125 -7.442 -4.111 1.00 0.00 C ATOM 1893 CG LEU A 130 4.762 -7.175 -4.772 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.878 -8.414 -4.717 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.071 -5.998 -4.101 1.00 0.00 C ATOM 0 H LEU A 130 8.906 -7.838 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 130 6.767 -8.871 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.971 -8.112 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.501 -6.502 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 130 4.934 -6.929 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.920 -8.199 -5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.367 -9.234 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.713 -8.697 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.108 -5.821 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.916 -6.220 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.693 -5.108 -4.197 1.00 0.00 H new ATOM 1907 N PHE A 131 7.348 -7.162 -7.295 1.00 0.00 N ATOM 1908 CA PHE A 131 7.761 -6.246 -8.392 1.00 0.00 C ATOM 1909 C PHE A 131 9.292 -6.243 -8.611 1.00 0.00 C ATOM 1910 O PHE A 131 9.831 -5.358 -9.289 1.00 0.00 O ATOM 1911 CB PHE A 131 7.250 -4.811 -8.139 1.00 0.00 C ATOM 1912 CG PHE A 131 6.572 -4.193 -9.331 1.00 0.00 C ATOM 1913 CD1 PHE A 131 5.207 -4.340 -9.523 1.00 0.00 C ATOM 1914 CD2 PHE A 131 7.301 -3.464 -10.257 1.00 0.00 C ATOM 1915 CE1 PHE A 131 4.582 -3.772 -10.618 1.00 0.00 C ATOM 1916 CE2 PHE A 131 6.681 -2.894 -11.353 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.321 -3.048 -11.534 1.00 0.00 C ATOM 0 H PHE A 131 6.747 -7.924 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 131 7.303 -6.625 -9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.552 -4.825 -7.302 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.090 -4.182 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.625 -4.904 -8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.365 -3.340 -10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.518 -3.894 -10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.260 -2.328 -12.068 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.836 -2.603 -12.390 1.00 0.00 H new ATOM 1927 N GLY A 132 9.972 -7.253 -8.050 1.00 0.00 N ATOM 1928 CA GLY A 132 11.422 -7.364 -8.180 1.00 0.00 C ATOM 1929 C GLY A 132 12.180 -6.780 -6.994 1.00 0.00 C ATOM 1930 O GLY A 132 13.414 -6.737 -7.009 1.00 0.00 O ATOM 0 H GLY A 132 9.539 -7.999 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.690 -8.414 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.738 -6.855 -9.091 1.00 0.00 H new ATOM 1934 N ARG A 133 11.439 -6.337 -5.972 1.00 0.00 N ATOM 1935 CA ARG A 133 12.031 -5.747 -4.767 1.00 0.00 C ATOM 1936 C ARG A 133 11.522 -6.450 -3.510 1.00 0.00 C ATOM 1937 O ARG A 133 10.423 -7.008 -3.510 1.00 0.00 O ATOM 1938 CB ARG A 133 11.699 -4.252 -4.674 1.00 0.00 C ATOM 1939 CG ARG A 133 12.339 -3.393 -5.756 1.00 0.00 C ATOM 1940 CD ARG A 133 12.014 -1.920 -5.556 1.00 0.00 C ATOM 1941 NE ARG A 133 12.823 -1.312 -4.490 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.879 -0.510 -4.694 1.00 0.00 C ATOM 1943 NH1 ARG A 133 14.280 -0.200 -5.925 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.535 -0.015 -3.653 1.00 0.00 N ATOM 0 H ARG A 133 10.420 -6.377 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 133 13.111 -5.874 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.617 -4.130 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.017 -3.882 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.420 -3.534 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.987 -3.716 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.183 -1.383 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.957 -1.813 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 133 12.563 -1.515 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.782 -0.574 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.085 0.411 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.236 -0.245 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.339 0.595 -3.800 1.00 0.00 H new ATOM 1958 N THR A 134 12.328 -6.411 -2.440 1.00 0.00 N ATOM 1959 CA THR A 134 11.958 -7.023 -1.158 1.00 0.00 C ATOM 1960 C THR A 134 11.089 -6.051 -0.355 1.00 0.00 C ATOM 1961 O THR A 134 11.421 -4.866 -0.243 1.00 0.00 O ATOM 1962 CB THR A 134 13.208 -7.412 -0.325 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.292 -7.770 -1.193 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.911 -8.586 0.606 1.00 0.00 C ATOM 0 H THR A 134 13.243 -5.960 -2.438 1.00 0.00 H new ATOM 0 HA THR A 134 11.400 -7.935 -1.372 1.00 0.00 H new ATOM 0 HB THR A 134 13.484 -6.546 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.075 -8.012 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.807 -8.834 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.109 -8.313 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.605 -9.450 0.016 1.00 0.00 H new ATOM 1972 N ILE A 135 9.985 -6.559 0.198 1.00 0.00 N ATOM 1973 CA ILE A 135 9.057 -5.728 0.973 1.00 0.00 C ATOM 1974 C ILE A 135 8.982 -6.160 2.437 1.00 0.00 C ATOM 1975 O ILE A 135 9.210 -7.328 2.767 1.00 0.00 O ATOM 1976 CB ILE A 135 7.623 -5.694 0.353 1.00 0.00 C ATOM 1977 CG1 ILE A 135 7.063 -7.113 0.110 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.631 -4.890 -0.948 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.580 -7.252 0.405 1.00 0.00 C ATOM 0 H ILE A 135 9.711 -7.539 0.125 1.00 0.00 H new ATOM 0 HA ILE A 135 9.465 -4.718 0.933 1.00 0.00 H new ATOM 0 HB ILE A 135 6.964 -5.206 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.244 -7.391 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.614 -7.821 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.627 -4.873 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.956 -3.870 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.316 -5.353 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.265 -8.277 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.393 -7.008 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.017 -6.571 -0.233 1.00 0.00 H new ATOM 1991 N ARG A 136 8.659 -5.192 3.295 1.00 0.00 N ATOM 1992 CA ARG A 136 8.536 -5.414 4.732 1.00 0.00 C ATOM 1993 C ARG A 136 7.154 -4.963 5.204 1.00 0.00 C ATOM 1994 O ARG A 136 6.737 -3.836 4.919 1.00 0.00 O ATOM 1995 CB ARG A 136 9.642 -4.631 5.468 1.00 0.00 C ATOM 1996 CG ARG A 136 9.713 -4.880 6.975 1.00 0.00 C ATOM 1997 CD ARG A 136 11.056 -5.462 7.379 1.00 0.00 C ATOM 1998 NE ARG A 136 11.114 -5.772 8.812 1.00 0.00 N ATOM 1999 CZ ARG A 136 12.243 -6.007 9.497 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.432 -5.969 8.898 1.00 0.00 N ATOM 2001 NH2 ARG A 136 12.178 -6.281 10.793 1.00 0.00 N ATOM 0 H ARG A 136 8.475 -4.230 3.010 1.00 0.00 H new ATOM 0 HA ARG A 136 8.650 -6.475 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.605 -4.888 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.488 -3.566 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.545 -3.944 7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.916 -5.562 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.245 -6.369 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.847 -4.755 7.129 1.00 0.00 H new ATOM 0 HE ARG A 136 10.233 -5.812 9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.495 -5.758 7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.280 -6.150 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.273 -6.312 11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.033 -6.461 11.320 1.00 0.00 H new ATOM 2015 N VAL A 137 6.454 -5.846 5.922 1.00 0.00 N ATOM 2016 CA VAL A 137 5.123 -5.521 6.438 1.00 0.00 C ATOM 2017 C VAL A 137 5.022 -5.856 7.928 1.00 0.00 C ATOM 2018 O VAL A 137 5.535 -6.886 8.382 1.00 0.00 O ATOM 2019 CB VAL A 137 3.949 -6.198 5.627 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.373 -6.612 4.222 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.333 -7.382 6.354 1.00 0.00 C ATOM 0 H VAL A 137 6.783 -6.782 6.157 1.00 0.00 H new ATOM 0 HA VAL A 137 5.000 -4.446 6.305 1.00 0.00 H new ATOM 0 HB VAL A 137 3.184 -5.426 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.529 -7.072 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.701 -5.733 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.193 -7.327 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.532 -7.805 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.097 -8.140 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.927 -7.051 7.310 1.00 0.00 H new ATOM 2031 N ASN A 138 4.367 -4.963 8.674 1.00 0.00 N ATOM 2032 CA ASN A 138 4.160 -5.121 10.113 1.00 0.00 C ATOM 2033 C ASN A 138 2.799 -4.547 10.526 1.00 0.00 C ATOM 2034 O ASN A 138 2.100 -3.945 9.707 1.00 0.00 O ATOM 2035 CB ASN A 138 5.312 -4.480 10.923 1.00 0.00 C ATOM 2036 CG ASN A 138 5.493 -2.983 10.700 1.00 0.00 C ATOM 2037 OD1 ASN A 138 4.525 -2.222 10.636 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.739 -2.554 10.590 1.00 0.00 N ATOM 0 H ASN A 138 3.964 -4.107 8.294 1.00 0.00 H new ATOM 0 HA ASN A 138 4.162 -6.187 10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.134 -4.656 11.984 1.00 0.00 H new ATOM 0 HB3 ASN A 138 6.243 -4.986 10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 138 6.926 -1.562 10.447 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.513 -3.216 10.648 1.00 0.00 H new ATOM 2045 N LEU A 139 2.431 -4.744 11.795 1.00 0.00 N ATOM 2046 CA LEU A 139 1.156 -4.253 12.334 1.00 0.00 C ATOM 2047 C LEU A 139 1.165 -2.719 12.443 1.00 0.00 C ATOM 2048 O LEU A 139 2.042 -2.138 13.091 1.00 0.00 O ATOM 2049 CB LEU A 139 0.901 -4.894 13.709 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.544 -4.834 14.224 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.885 -6.102 14.992 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.750 -3.610 15.105 1.00 0.00 C ATOM 0 H LEU A 139 3.003 -5.245 12.475 1.00 0.00 H new ATOM 0 HA LEU A 139 0.351 -4.533 11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.205 -5.940 13.662 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.546 -4.407 14.440 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.211 -4.755 13.366 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.913 -6.045 15.351 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.778 -6.965 14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.209 -6.206 15.841 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.780 -3.586 15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.074 -3.658 15.958 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.544 -2.708 14.529 1.00 0.00 H new ATOM 2064 N ALA A 140 0.177 -2.085 11.796 1.00 0.00 N ATOM 2065 CA ALA A 140 0.050 -0.625 11.793 1.00 0.00 C ATOM 2066 C ALA A 140 -0.877 -0.146 12.908 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.460 -0.144 10.439 1.00 0.00 C ATOM 0 H ALA A 140 -0.549 -2.566 11.265 1.00 0.00 H new ATOM 0 HA ALA A 140 1.038 -0.201 11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.550 0.942 10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.241 -0.443 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.436 -0.587 10.239 1.00 0.00 H new