USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=6 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= -3.28! C(o=-3.3!,f=-5.6!) USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.152 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 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= -0.684 K(o=-0.68,f=-4.1!) USER MOD Single : A 124 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.3) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc=-0.00285 X(o=-0.0028,f=-0.48) USER MOD Single : A 128 SER OG : rot -120:sc= -0.0625 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -8.332 -4.758 10.725 1.00 0.00 N ATOM 883 CA ARG A 64 -6.918 -4.603 11.063 1.00 0.00 C ATOM 884 C ARG A 64 -6.146 -3.939 9.911 1.00 0.00 C ATOM 885 O ARG A 64 -6.291 -4.330 8.750 1.00 0.00 O ATOM 886 CB ARG A 64 -6.312 -5.959 11.445 1.00 0.00 C ATOM 887 CG ARG A 64 -4.931 -5.896 12.095 1.00 0.00 C ATOM 888 CD ARG A 64 -4.503 -7.264 12.604 1.00 0.00 C ATOM 889 NE ARG A 64 -3.112 -7.276 13.069 1.00 0.00 N ATOM 890 CZ ARG A 64 -2.536 -8.295 13.726 1.00 0.00 C ATOM 891 NH1 ARG A 64 -3.228 -9.386 14.047 1.00 0.00 N ATOM 892 NH2 ARG A 64 -1.258 -8.214 14.071 1.00 0.00 N ATOM 0 HA ARG A 64 -6.835 -3.943 11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.995 -6.464 12.128 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.246 -6.575 10.548 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.202 -5.529 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.947 -5.185 12.921 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.159 -7.567 13.420 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.624 -7.999 11.808 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.542 -6.452 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.213 -9.458 13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.773 -10.150 14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.718 -7.381 13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.815 -8.985 14.570 1.00 0.00 H new ATOM 906 N VAL A 65 -5.330 -2.932 10.259 1.00 0.00 N ATOM 907 CA VAL A 65 -4.518 -2.190 9.278 1.00 0.00 C ATOM 908 C VAL A 65 -3.047 -2.600 9.420 1.00 0.00 C ATOM 909 O VAL A 65 -2.537 -2.713 10.539 1.00 0.00 O ATOM 910 CB VAL A 65 -4.660 -0.643 9.447 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.998 0.110 8.292 1.00 0.00 C ATOM 912 CG2 VAL A 65 -6.128 -0.229 9.556 1.00 0.00 C ATOM 0 H VAL A 65 -5.214 -2.610 11.220 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.883 -2.442 8.282 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.150 -0.378 10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.116 1.183 8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.937 -0.137 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.469 -0.179 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.193 0.853 9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.659 -0.529 8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.580 -0.715 10.421 1.00 0.00 H new ATOM 922 N LEU A 66 -2.380 -2.818 8.279 1.00 0.00 N ATOM 923 CA LEU A 66 -0.977 -3.252 8.271 1.00 0.00 C ATOM 924 C LEU A 66 -0.095 -2.300 7.462 1.00 0.00 C ATOM 925 O LEU A 66 -0.583 -1.571 6.594 1.00 0.00 O ATOM 926 CB LEU A 66 -0.840 -4.691 7.718 1.00 0.00 C ATOM 927 CG LEU A 66 -2.127 -5.535 7.648 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.946 -6.703 6.693 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.530 -6.035 9.030 1.00 0.00 C ATOM 0 H LEU A 66 -2.788 -2.701 7.352 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.636 -3.238 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.419 -4.630 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.117 -5.225 8.335 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.928 -4.898 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.865 -7.288 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.715 -6.326 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.128 -7.334 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.441 -6.628 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.731 -6.652 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.707 -5.184 9.688 1.00 0.00 H new ATOM 941 N TYR A 67 1.208 -2.325 7.766 1.00 0.00 N ATOM 942 CA TYR A 67 2.205 -1.512 7.070 1.00 0.00 C ATOM 943 C TYR A 67 2.863 -2.347 5.979 1.00 0.00 C ATOM 944 O TYR A 67 3.198 -3.506 6.208 1.00 0.00 O ATOM 945 CB TYR A 67 3.276 -0.998 8.063 1.00 0.00 C ATOM 946 CG TYR A 67 4.496 -0.345 7.414 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.616 -1.107 7.070 1.00 0.00 C ATOM 948 CD2 TYR A 67 4.523 1.015 7.134 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.721 -0.531 6.468 1.00 0.00 C ATOM 950 CE2 TYR A 67 5.626 1.599 6.535 1.00 0.00 C ATOM 951 CZ TYR A 67 6.720 0.823 6.205 1.00 0.00 C ATOM 952 OH TYR A 67 7.814 1.404 5.607 1.00 0.00 O ATOM 0 H TYR A 67 1.599 -2.912 8.503 1.00 0.00 H new ATOM 0 HA TYR A 67 1.711 -0.650 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.811 -0.277 8.735 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.613 -1.834 8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.619 -2.167 7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.670 1.627 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.576 -1.136 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.631 2.659 6.326 1.00 0.00 H new ATOM 0 HH TYR A 67 7.652 2.364 5.491 1.00 0.00 H new ATOM 962 N VAL A 68 3.031 -1.750 4.804 1.00 0.00 N ATOM 963 CA VAL A 68 3.692 -2.423 3.687 1.00 0.00 C ATOM 964 C VAL A 68 4.699 -1.477 3.039 1.00 0.00 C ATOM 965 O VAL A 68 4.319 -0.449 2.471 1.00 0.00 O ATOM 966 CB VAL A 68 2.690 -2.983 2.631 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.035 -4.252 3.154 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.618 -1.966 2.230 1.00 0.00 C ATOM 0 H VAL A 68 2.719 -0.801 4.598 1.00 0.00 H new ATOM 0 HA VAL A 68 4.214 -3.289 4.093 1.00 0.00 H new ATOM 0 HB VAL A 68 3.267 -3.206 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.337 -4.635 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.801 -5.002 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.497 -4.030 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.950 -2.413 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.045 -1.675 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.095 -1.085 1.801 1.00 0.00 H new ATOM 978 N GLY A 69 5.981 -1.841 3.132 1.00 0.00 N ATOM 979 CA GLY A 69 7.041 -1.017 2.575 1.00 0.00 C ATOM 980 C GLY A 69 7.995 -1.799 1.707 1.00 0.00 C ATOM 981 O GLY A 69 8.326 -2.943 2.017 1.00 0.00 O ATOM 0 H GLY A 69 6.302 -2.696 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.599 -0.213 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.597 -0.550 3.388 1.00 0.00 H new ATOM 985 N GLY A 70 8.443 -1.162 0.626 1.00 0.00 N ATOM 986 CA GLY A 70 9.364 -1.794 -0.307 1.00 0.00 C ATOM 987 C GLY A 70 8.751 -2.005 -1.680 1.00 0.00 C ATOM 988 O GLY A 70 9.116 -2.950 -2.386 1.00 0.00 O ATOM 0 H GLY A 70 8.181 -0.208 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.258 -1.178 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.682 -2.755 0.097 1.00 0.00 H new ATOM 992 N LEU A 71 7.814 -1.123 -2.052 1.00 0.00 N ATOM 993 CA LEU A 71 7.136 -1.200 -3.351 1.00 0.00 C ATOM 994 C LEU A 71 7.796 -0.261 -4.356 1.00 0.00 C ATOM 995 O LEU A 71 8.544 0.647 -3.980 1.00 0.00 O ATOM 996 CB LEU A 71 5.636 -0.852 -3.244 1.00 0.00 C ATOM 997 CG LEU A 71 4.894 -1.372 -2.008 1.00 0.00 C ATOM 998 CD1 LEU A 71 4.978 -0.364 -0.880 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.444 -1.653 -2.352 1.00 0.00 C ATOM 0 H LEU A 71 7.508 -0.345 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 71 7.225 -2.231 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.536 0.233 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.133 -1.239 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 71 5.365 -2.299 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.446 -0.747 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.023 -0.194 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.525 0.575 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.925 -2.022 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.967 -0.735 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.396 -2.404 -3.140 1.00 0.00 H new ATOM 1011 N ALA A 72 7.501 -0.494 -5.635 1.00 0.00 N ATOM 1012 CA ALA A 72 8.040 0.312 -6.732 1.00 0.00 C ATOM 1013 C ALA A 72 7.194 1.567 -6.957 1.00 0.00 C ATOM 1014 O ALA A 72 6.018 1.601 -6.600 1.00 0.00 O ATOM 1015 CB ALA A 72 8.110 -0.520 -8.007 1.00 0.00 C ATOM 0 H ALA A 72 6.883 -1.246 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 72 9.047 0.630 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.512 0.089 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.758 -1.381 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.110 -0.863 -8.273 1.00 0.00 H new ATOM 1021 N GLU A 73 7.808 2.603 -7.541 1.00 0.00 N ATOM 1022 CA GLU A 73 7.121 3.877 -7.827 1.00 0.00 C ATOM 1023 C GLU A 73 6.008 3.697 -8.859 1.00 0.00 C ATOM 1024 O GLU A 73 5.028 4.447 -8.869 1.00 0.00 O ATOM 1025 CB GLU A 73 8.125 4.917 -8.320 1.00 0.00 C ATOM 1026 CG GLU A 73 9.137 5.302 -7.261 1.00 0.00 C ATOM 1027 CD GLU A 73 10.261 6.165 -7.801 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.174 5.613 -8.451 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.225 7.393 -7.576 1.00 0.00 O ATOM 0 H GLU A 73 8.787 2.587 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 73 6.666 4.223 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.649 4.525 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.588 5.808 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.629 5.837 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.559 4.397 -6.824 1.00 0.00 H new ATOM 1036 N GLU A 74 6.181 2.690 -9.723 1.00 0.00 N ATOM 1037 CA GLU A 74 5.211 2.365 -10.770 1.00 0.00 C ATOM 1038 C GLU A 74 4.007 1.582 -10.216 1.00 0.00 C ATOM 1039 O GLU A 74 3.086 1.247 -10.971 1.00 0.00 O ATOM 1040 CB GLU A 74 5.891 1.558 -11.892 1.00 0.00 C ATOM 1041 CG GLU A 74 6.908 2.347 -12.722 1.00 0.00 C ATOM 1042 CD GLU A 74 6.299 3.499 -13.515 1.00 0.00 C ATOM 1043 OE1 GLU A 74 5.343 3.257 -14.284 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.781 4.641 -13.364 1.00 0.00 O ATOM 0 H GLU A 74 6.998 2.079 -9.714 1.00 0.00 H new ATOM 0 HA GLU A 74 4.837 3.306 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.393 0.698 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.121 1.169 -12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.676 2.743 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.405 1.666 -13.413 1.00 0.00 H new ATOM 1051 N VAL A 75 4.006 1.304 -8.895 1.00 0.00 N ATOM 1052 CA VAL A 75 2.898 0.552 -8.273 1.00 0.00 C ATOM 1053 C VAL A 75 1.735 1.486 -7.900 1.00 0.00 C ATOM 1054 O VAL A 75 1.956 2.606 -7.429 1.00 0.00 O ATOM 1055 CB VAL A 75 3.332 -0.310 -7.028 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.656 -1.025 -7.275 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.396 0.504 -5.735 1.00 0.00 C ATOM 0 H VAL A 75 4.745 1.583 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 75 2.563 -0.155 -9.032 1.00 0.00 H new ATOM 0 HB VAL A 75 2.552 -1.060 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.924 -1.610 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.557 -1.688 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.436 -0.289 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.700 -0.143 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.120 1.311 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.414 0.925 -5.521 1.00 0.00 H new ATOM 1067 N ASP A 76 0.512 1.007 -8.125 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.702 1.771 -7.825 1.00 0.00 C ATOM 1069 C ASP A 76 -1.559 1.039 -6.785 1.00 0.00 C ATOM 1070 O ASP A 76 -1.199 -0.055 -6.340 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.506 2.013 -9.117 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.782 2.896 -10.124 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -0.152 3.894 -9.708 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.844 2.586 -11.333 1.00 0.00 O ATOM 0 H ASP A 76 0.333 0.083 -8.518 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.413 2.735 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.730 1.053 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.460 2.474 -8.861 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.697 1.651 -6.399 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.626 1.062 -5.414 1.00 0.00 C ATOM 1081 C ASP A 77 -4.151 -0.299 -5.882 1.00 0.00 C ATOM 1082 O ASP A 77 -4.439 -1.182 -5.069 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.805 2.007 -5.161 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.405 3.251 -4.390 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.223 3.152 -3.160 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.275 4.323 -5.018 1.00 0.00 O ATOM 0 H ASP A 77 -2.996 2.558 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.071 0.916 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.241 2.301 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.579 1.475 -4.608 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.268 -0.440 -7.211 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.750 -1.669 -7.860 1.00 0.00 C ATOM 1093 C LYS A 78 -3.737 -2.799 -7.686 1.00 0.00 C ATOM 1094 O LYS A 78 -4.102 -3.955 -7.456 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.977 -1.411 -9.353 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.020 -0.345 -9.643 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.153 -0.104 -11.131 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.068 1.072 -11.418 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.996 1.499 -12.842 1.00 0.00 N ATOM 0 H LYS A 78 -4.029 0.301 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.690 -1.963 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.032 -1.114 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.282 -2.342 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.982 -0.652 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.744 0.584 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.169 0.084 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.545 -0.999 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.095 0.801 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.796 1.909 -10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.636 2.304 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.022 1.782 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.280 0.709 -13.456 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.455 -2.426 -7.808 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.325 -3.335 -7.665 1.00 0.00 C ATOM 1115 C VAL A 79 -1.235 -3.878 -6.225 1.00 0.00 C ATOM 1116 O VAL A 79 -1.093 -5.088 -6.019 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.006 -2.595 -8.040 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.196 -3.496 -7.891 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.056 -2.038 -9.458 1.00 0.00 C ATOM 0 H VAL A 79 -2.177 -1.466 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.471 -4.179 -8.338 1.00 0.00 H new ATOM 0 HB VAL A 79 0.092 -1.762 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.098 -2.947 -8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.272 -3.833 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.087 -4.360 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.882 -1.529 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.204 -2.855 -10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.882 -1.331 -9.542 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.337 -2.966 -5.244 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.267 -3.327 -3.823 1.00 0.00 C ATOM 1131 C LEU A 80 -2.486 -4.158 -3.394 1.00 0.00 C ATOM 1132 O LEU A 80 -2.355 -5.103 -2.611 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.161 -2.066 -2.954 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.426 -2.247 -1.616 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.236 -0.946 -1.193 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.374 -2.738 -0.529 1.00 0.00 C ATOM 0 H LEU A 80 -1.469 -1.969 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.374 -3.936 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.651 -1.292 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.167 -1.700 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 80 0.346 -3.004 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.752 -1.092 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.955 -0.639 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.523 -0.172 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.826 -2.857 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.175 -2.012 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.800 -3.697 -0.824 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.666 -3.793 -3.921 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.926 -4.484 -3.612 1.00 0.00 C ATOM 1150 C HIS A 81 -4.955 -5.906 -4.205 1.00 0.00 C ATOM 1151 O HIS A 81 -5.295 -6.869 -3.513 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.113 -3.660 -4.137 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.416 -3.955 -3.453 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.273 -4.955 -3.865 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.007 -3.373 -2.383 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.335 -4.973 -3.078 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.197 -4.024 -2.172 1.00 0.00 N ATOM 0 H HIS A 81 -3.772 -3.014 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.003 -4.580 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.886 -2.600 -4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.226 -3.846 -5.205 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.615 -2.550 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.173 -5.649 -3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.867 -3.809 -1.434 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.582 -6.016 -5.490 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.559 -7.296 -6.211 1.00 0.00 C ATOM 1168 C ALA A 82 -3.442 -8.237 -5.733 1.00 0.00 C ATOM 1169 O ALA A 82 -3.519 -9.450 -5.950 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.426 -7.047 -7.706 1.00 0.00 C ATOM 0 H ALA A 82 -4.288 -5.220 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.504 -7.796 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.410 -8.001 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.273 -6.455 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.500 -6.507 -7.904 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.411 -7.671 -5.085 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.266 -8.446 -4.596 1.00 0.00 C ATOM 1178 C ALA A 83 -1.555 -9.053 -3.230 1.00 0.00 C ATOM 1179 O ALA A 83 -1.077 -10.144 -2.905 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.029 -7.562 -4.527 1.00 0.00 C ATOM 0 H ALA A 83 -2.350 -6.672 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.085 -9.262 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.816 -8.146 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.198 -7.176 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.214 -6.730 -3.848 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.344 -8.322 -2.445 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.717 -8.734 -1.100 1.00 0.00 C ATOM 1188 C PHE A 84 -4.142 -9.300 -1.038 1.00 0.00 C ATOM 1189 O PHE A 84 -4.615 -9.686 0.037 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.571 -7.542 -0.156 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.142 -7.190 0.155 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.481 -7.791 1.215 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.460 -6.263 -0.616 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.832 -7.473 1.499 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.854 -5.941 -0.337 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.500 -6.548 0.721 1.00 0.00 C ATOM 0 H PHE A 84 -2.742 -7.426 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.049 -9.538 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.061 -6.676 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.093 -7.761 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.999 -8.516 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.962 -5.786 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.336 -7.947 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.375 -5.216 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.528 -6.300 0.940 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.819 -9.359 -2.200 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.190 -9.880 -2.291 1.00 0.00 C ATOM 1208 C ILE A 85 -6.282 -11.427 -2.071 1.00 0.00 C ATOM 1209 O ILE A 85 -7.304 -11.883 -1.549 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.892 -9.424 -3.625 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.421 -9.594 -3.542 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.350 -10.146 -4.860 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.143 -8.433 -2.883 1.00 0.00 C ATOM 0 H ILE A 85 -4.433 -9.050 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.741 -9.437 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.658 -8.365 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.815 -9.727 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.644 -10.506 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.872 -9.790 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.284 -9.944 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.508 -11.219 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.214 -8.633 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.780 -8.311 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.954 -7.520 -3.447 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.250 -12.267 -2.451 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.314 -13.737 -2.241 1.00 0.00 C ATOM 1227 C PRO A 86 -5.484 -14.148 -0.770 1.00 0.00 C ATOM 1228 O PRO A 86 -5.984 -15.240 -0.486 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.966 -14.245 -2.766 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.500 -13.193 -3.706 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.975 -11.895 -3.123 1.00 0.00 C ATOM 0 HA PRO A 86 -6.183 -14.155 -2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.255 -14.391 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.075 -15.205 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.414 -13.206 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.910 -13.349 -4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.254 -11.483 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.132 -11.141 -3.894 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.067 -13.266 0.155 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.163 -13.538 1.603 1.00 0.00 C ATOM 1241 C PHE A 87 -6.577 -13.288 2.140 1.00 0.00 C ATOM 1242 O PHE A 87 -7.010 -13.958 3.084 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.165 -12.677 2.397 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.739 -12.752 1.909 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.949 -13.861 2.177 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.189 -11.705 1.183 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.644 -13.925 1.730 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.884 -11.764 0.735 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.111 -12.875 1.009 1.00 0.00 C ATOM 0 H PHE A 87 -4.660 -12.359 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.920 -14.592 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.493 -11.638 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.193 -12.983 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.360 -14.684 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.789 -10.834 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.041 -14.795 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.468 -10.942 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.910 -12.923 0.660 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.286 -12.325 1.534 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.637 -11.996 1.965 1.00 0.00 C ATOM 1261 C GLY A 88 -9.165 -10.720 1.335 1.00 0.00 C ATOM 1262 O GLY A 88 -8.644 -10.261 0.315 1.00 0.00 O ATOM 0 H GLY A 88 -6.943 -11.769 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.304 -12.821 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.651 -11.892 3.050 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.210 -10.154 1.954 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.846 -8.922 1.474 1.00 0.00 C ATOM 1268 C ASP A 89 -10.116 -7.674 1.970 1.00 0.00 C ATOM 1269 O ASP A 89 -9.735 -7.594 3.142 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.307 -8.871 1.926 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.185 -9.862 1.184 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.319 -11.009 1.659 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.740 -9.489 0.128 1.00 0.00 O ATOM 0 H ASP A 89 -10.636 -10.536 2.798 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.796 -8.934 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.359 -9.075 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.695 -7.864 1.774 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.933 -6.709 1.063 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.259 -5.447 1.383 1.00 0.00 C ATOM 1280 C ILE A 90 -10.239 -4.284 1.212 1.00 0.00 C ATOM 1281 O ILE A 90 -11.023 -4.261 0.259 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.988 -5.223 0.507 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.039 -6.423 0.628 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.249 -3.943 0.912 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.396 -6.823 -0.681 1.00 0.00 C ATOM 0 H ILE A 90 -10.245 -6.779 0.094 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.927 -5.497 2.420 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.315 -5.120 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.257 -6.185 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.592 -7.274 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.368 -3.817 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.911 -3.086 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.942 -4.015 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.739 -7.677 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.170 -7.093 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.815 -5.988 -1.071 1.00 0.00 H new ATOM 1297 N THR A 91 -10.178 -3.329 2.145 1.00 0.00 N ATOM 1298 CA THR A 91 -11.064 -2.167 2.127 1.00 0.00 C ATOM 1299 C THR A 91 -10.442 -0.961 1.413 1.00 0.00 C ATOM 1300 O THR A 91 -10.985 -0.497 0.406 1.00 0.00 O ATOM 1301 CB THR A 91 -11.491 -1.756 3.554 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.415 -1.968 4.478 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.711 -2.547 4.003 1.00 0.00 C ATOM 0 H THR A 91 -9.520 -3.341 2.924 1.00 0.00 H new ATOM 0 HA THR A 91 -11.945 -2.475 1.564 1.00 0.00 H new ATOM 0 HB THR A 91 -11.746 -0.696 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.771 -2.014 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.993 -2.240 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.539 -2.357 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.476 -3.611 4.000 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.305 -0.455 1.931 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.644 0.721 1.341 1.00 0.00 C ATOM 1313 C ASP A 92 -7.116 0.633 1.391 1.00 0.00 C ATOM 1314 O ASP A 92 -6.546 -0.035 2.258 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.090 2.001 2.074 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.558 2.342 1.857 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.053 2.185 0.719 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.215 2.769 2.831 1.00 0.00 O ATOM 0 H ASP A 92 -8.831 -0.839 2.748 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.943 0.750 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.906 1.882 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.477 2.837 1.736 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.474 1.326 0.437 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.011 1.405 0.348 1.00 0.00 C ATOM 1325 C ILE A 93 -4.599 2.879 0.470 1.00 0.00 C ATOM 1326 O ILE A 93 -5.086 3.722 -0.290 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.456 0.798 -0.994 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.926 -0.667 -1.242 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.925 0.865 -1.049 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.826 -1.615 -0.049 1.00 0.00 C ATOM 0 H ILE A 93 -6.957 1.847 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.584 0.813 1.158 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.872 1.416 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.964 -0.643 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.338 -1.082 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.576 0.437 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.604 1.904 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.506 0.301 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.180 -2.604 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.788 -1.682 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.439 -1.236 0.769 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.707 3.178 1.422 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.253 4.554 1.646 1.00 0.00 C ATOM 1344 C GLN A 94 -1.742 4.696 1.426 1.00 0.00 C ATOM 1345 O GLN A 94 -0.946 3.965 2.026 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.636 5.005 3.067 1.00 0.00 C ATOM 1347 CG GLN A 94 -3.719 6.521 3.251 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.017 7.111 2.729 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.092 6.859 3.275 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -4.924 7.899 1.665 1.00 0.00 N ATOM 0 H GLN A 94 -3.288 2.489 2.046 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.749 5.196 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.600 4.567 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.905 4.606 3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.618 6.759 4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.880 6.990 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.013 8.082 1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.763 8.322 1.269 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.372 5.644 0.559 1.00 0.00 N ATOM 1360 CA ILE A 95 0.035 5.927 0.241 1.00 0.00 C ATOM 1361 C ILE A 95 0.325 7.432 0.429 1.00 0.00 C ATOM 1362 O ILE A 95 -0.186 8.248 -0.347 1.00 0.00 O ATOM 1363 CB ILE A 95 0.417 5.505 -1.217 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.279 4.202 -1.629 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.930 5.347 -1.367 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.554 4.419 -2.405 1.00 0.00 C ATOM 0 H ILE A 95 -2.035 6.236 0.059 1.00 0.00 H new ATOM 0 HA ILE A 95 0.642 5.335 0.926 1.00 0.00 H new ATOM 0 HB ILE A 95 0.076 6.303 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.407 3.608 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.502 3.620 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.166 5.053 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.419 6.294 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.286 4.581 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.992 3.455 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.258 4.986 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.335 4.974 -3.317 1.00 0.00 H new ATOM 1378 N PRO A 96 1.135 7.842 1.462 1.00 0.00 N ATOM 1379 CA PRO A 96 1.468 9.270 1.694 1.00 0.00 C ATOM 1380 C PRO A 96 2.168 9.914 0.491 1.00 0.00 C ATOM 1381 O PRO A 96 3.157 9.377 -0.022 1.00 0.00 O ATOM 1382 CB PRO A 96 2.414 9.238 2.902 1.00 0.00 C ATOM 1383 CG PRO A 96 2.128 7.944 3.581 1.00 0.00 C ATOM 1384 CD PRO A 96 1.766 6.976 2.490 1.00 0.00 C ATOM 0 HA PRO A 96 0.570 9.866 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.456 9.297 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.233 10.082 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.997 7.596 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.312 8.050 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.645 6.463 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.080 6.207 2.845 1.00 0.00 H new ATOM 1392 N LEU A 97 1.640 11.060 0.049 1.00 0.00 N ATOM 1393 CA LEU A 97 2.195 11.780 -1.098 1.00 0.00 C ATOM 1394 C LEU A 97 2.553 13.218 -0.726 1.00 0.00 C ATOM 1395 O LEU A 97 1.765 13.914 -0.078 1.00 0.00 O ATOM 1396 CB LEU A 97 1.189 11.770 -2.256 1.00 0.00 C ATOM 1397 CG LEU A 97 1.785 11.983 -3.650 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.983 10.650 -4.353 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.896 12.900 -4.476 1.00 0.00 C ATOM 0 H LEU A 97 0.827 11.509 0.471 1.00 0.00 H new ATOM 0 HA LEU A 97 3.109 11.274 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.662 10.816 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.446 12.547 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 97 2.759 12.460 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.407 10.820 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.661 10.028 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.022 10.145 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.335 13.040 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.093 12.452 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.807 13.866 -3.978 1.00 0.00 H new ATOM 1411 N ASP A 98 3.750 13.650 -1.146 1.00 0.00 N ATOM 1412 CA ASP A 98 4.230 15.012 -0.885 1.00 0.00 C ATOM 1413 C ASP A 98 3.863 15.939 -2.041 1.00 0.00 C ATOM 1414 O ASP A 98 3.942 15.545 -3.202 1.00 0.00 O ATOM 1415 CB ASP A 98 5.751 15.024 -0.671 1.00 0.00 C ATOM 1416 CG ASP A 98 6.193 14.253 0.565 1.00 0.00 C ATOM 1417 OD1 ASP A 98 5.532 14.377 1.620 1.00 0.00 O ATOM 1418 OD2 ASP A 98 7.203 13.522 0.476 1.00 0.00 O ATOM 0 H ASP A 98 4.406 13.071 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 98 3.747 15.370 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.237 14.599 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.091 16.056 -0.587 1.00 0.00 H new ATOM 1423 N TYR A 99 3.449 17.168 -1.709 1.00 0.00 N ATOM 1424 CA TYR A 99 3.054 18.178 -2.710 1.00 0.00 C ATOM 1425 C TYR A 99 4.215 18.620 -3.614 1.00 0.00 C ATOM 1426 O TYR A 99 4.009 18.950 -4.786 1.00 0.00 O ATOM 1427 CB TYR A 99 2.467 19.410 -2.009 1.00 0.00 C ATOM 1428 CG TYR A 99 1.148 19.155 -1.310 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.026 19.030 -2.039 1.00 0.00 C ATOM 1430 CD2 TYR A 99 1.076 19.049 0.072 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -1.236 18.804 -1.414 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.131 18.822 0.708 1.00 0.00 C ATOM 1433 CZ TYR A 99 -1.283 18.700 -0.039 1.00 0.00 C ATOM 1434 OH TYR A 99 -2.486 18.475 0.590 1.00 0.00 O ATOM 0 H TYR A 99 3.377 17.493 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 99 2.307 17.704 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.188 19.777 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.328 20.202 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.007 19.111 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.977 19.145 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.140 18.709 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.171 18.741 1.784 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.345 18.427 1.559 1.00 0.00 H new ATOM 1444 N GLU A 100 5.427 18.618 -3.049 1.00 0.00 N ATOM 1445 CA GLU A 100 6.650 19.045 -3.752 1.00 0.00 C ATOM 1446 C GLU A 100 7.030 18.136 -4.942 1.00 0.00 C ATOM 1447 O GLU A 100 7.423 18.640 -5.998 1.00 0.00 O ATOM 1448 CB GLU A 100 7.814 19.110 -2.744 1.00 0.00 C ATOM 1449 CG GLU A 100 9.035 19.916 -3.212 1.00 0.00 C ATOM 1450 CD GLU A 100 8.829 21.429 -3.180 1.00 0.00 C ATOM 1451 OE1 GLU A 100 8.072 21.920 -2.311 1.00 0.00 O ATOM 1452 OE2 GLU A 100 9.431 22.122 -4.027 1.00 0.00 O ATOM 0 H GLU A 100 5.592 18.320 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 100 6.448 20.028 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.446 19.544 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.134 18.093 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.888 19.662 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.288 19.615 -4.229 1.00 0.00 H new ATOM 1459 N THR A 101 6.911 16.815 -4.767 1.00 0.00 N ATOM 1460 CA THR A 101 7.279 15.860 -5.827 1.00 0.00 C ATOM 1461 C THR A 101 6.100 15.026 -6.323 1.00 0.00 C ATOM 1462 O THR A 101 6.133 14.522 -7.449 1.00 0.00 O ATOM 1463 CB THR A 101 8.393 14.901 -5.355 1.00 0.00 C ATOM 1464 OG1 THR A 101 8.072 14.368 -4.064 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.741 15.610 -5.297 1.00 0.00 C ATOM 0 H THR A 101 6.566 16.382 -3.910 1.00 0.00 H new ATOM 0 HA THR A 101 7.634 16.474 -6.655 1.00 0.00 H new ATOM 0 HB THR A 101 8.463 14.087 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.784 13.760 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.506 14.910 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.999 15.982 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.683 16.446 -4.600 1.00 0.00 H new ATOM 1473 N GLU A 102 5.050 14.888 -5.488 1.00 0.00 N ATOM 1474 CA GLU A 102 3.842 14.088 -5.823 1.00 0.00 C ATOM 1475 C GLU A 102 4.200 12.609 -6.089 1.00 0.00 C ATOM 1476 O GLU A 102 3.453 11.880 -6.754 1.00 0.00 O ATOM 1477 CB GLU A 102 3.082 14.689 -7.026 1.00 0.00 C ATOM 1478 CG GLU A 102 2.425 16.030 -6.736 1.00 0.00 C ATOM 1479 CD GLU A 102 1.629 16.556 -7.914 1.00 0.00 C ATOM 1480 OE1 GLU A 102 2.211 17.280 -8.748 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.422 16.244 -8.003 1.00 0.00 O ATOM 0 H GLU A 102 5.010 15.323 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 102 3.182 14.124 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.776 14.808 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.316 13.983 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.766 15.929 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.192 16.756 -6.468 1.00 0.00 H new ATOM 1488 N LYS A 103 5.348 12.182 -5.543 1.00 0.00 N ATOM 1489 CA LYS A 103 5.841 10.812 -5.707 1.00 0.00 C ATOM 1490 C LYS A 103 6.094 10.171 -4.342 1.00 0.00 C ATOM 1491 O LYS A 103 6.347 10.875 -3.360 1.00 0.00 O ATOM 1492 CB LYS A 103 7.145 10.783 -6.530 1.00 0.00 C ATOM 1493 CG LYS A 103 7.138 11.662 -7.782 1.00 0.00 C ATOM 1494 CD LYS A 103 7.734 10.932 -8.976 1.00 0.00 C ATOM 1495 CE LYS A 103 7.995 11.880 -10.135 1.00 0.00 C ATOM 1496 NZ LYS A 103 8.763 11.221 -11.228 1.00 0.00 N ATOM 0 H LYS A 103 5.956 12.775 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 103 5.076 10.248 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.969 11.096 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.346 9.754 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.116 11.963 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.704 12.574 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.667 10.451 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.055 10.142 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.046 12.245 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.547 12.749 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.921 11.900 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.680 10.895 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.225 10.407 -11.588 1.00 0.00 H new ATOM 1510 N HIS A 104 6.029 8.835 -4.291 1.00 0.00 N ATOM 1511 CA HIS A 104 6.261 8.098 -3.047 1.00 0.00 C ATOM 1512 C HIS A 104 7.581 7.323 -3.113 1.00 0.00 C ATOM 1513 O HIS A 104 8.054 6.983 -4.203 1.00 0.00 O ATOM 1514 CB HIS A 104 5.080 7.155 -2.739 1.00 0.00 C ATOM 1515 CG HIS A 104 4.914 6.003 -3.694 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.355 4.725 -3.412 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.348 5.942 -4.922 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.065 3.928 -4.427 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.454 4.643 -5.356 1.00 0.00 N ATOM 0 H HIS A 104 5.818 8.245 -5.096 1.00 0.00 H new ATOM 0 HA HIS A 104 6.335 8.819 -2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 104 5.207 6.756 -1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 104 4.160 7.740 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.897 6.762 -5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.289 2.873 -4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.116 4.288 -6.250 1.00 0.00 H new ATOM 1528 N ARG A 105 8.162 7.051 -1.939 1.00 0.00 N ATOM 1529 CA ARG A 105 9.431 6.313 -1.841 1.00 0.00 C ATOM 1530 C ARG A 105 9.229 4.798 -1.989 1.00 0.00 C ATOM 1531 O ARG A 105 10.204 4.053 -2.141 1.00 0.00 O ATOM 1532 CB ARG A 105 10.138 6.618 -0.514 1.00 0.00 C ATOM 1533 CG ARG A 105 10.605 8.062 -0.380 1.00 0.00 C ATOM 1534 CD ARG A 105 11.418 8.269 0.886 1.00 0.00 C ATOM 1535 NE ARG A 105 11.713 9.687 1.125 1.00 0.00 N ATOM 1536 CZ ARG A 105 12.903 10.267 0.909 1.00 0.00 C ATOM 1537 NH1 ARG A 105 13.936 9.568 0.442 1.00 0.00 N ATOM 1538 NH2 ARG A 105 13.056 11.560 1.161 1.00 0.00 N ATOM 0 H ARG A 105 7.773 7.331 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 105 10.058 6.650 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.461 6.388 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.999 5.957 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.206 8.333 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.740 8.726 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 105 10.872 7.864 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.352 7.712 0.812 1.00 0.00 H new ATOM 0 HE ARG A 105 10.958 10.274 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.830 8.573 0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.833 10.027 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.272 12.107 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.958 12.008 0.999 1.00 0.00 H new ATOM 1552 N GLY A 106 7.964 4.354 -1.949 1.00 0.00 N ATOM 1553 CA GLY A 106 7.660 2.939 -2.089 1.00 0.00 C ATOM 1554 C GLY A 106 7.121 2.295 -0.825 1.00 0.00 C ATOM 1555 O GLY A 106 7.525 1.179 -0.488 1.00 0.00 O ATOM 0 H GLY A 106 7.149 4.954 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.930 2.812 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.564 2.412 -2.396 1.00 0.00 H new ATOM 1559 N PHE A 107 6.228 3.000 -0.109 1.00 0.00 N ATOM 1560 CA PHE A 107 5.606 2.455 1.104 1.00 0.00 C ATOM 1561 C PHE A 107 4.159 2.932 1.243 1.00 0.00 C ATOM 1562 O PHE A 107 3.829 4.063 0.877 1.00 0.00 O ATOM 1563 CB PHE A 107 6.431 2.759 2.378 1.00 0.00 C ATOM 1564 CG PHE A 107 6.550 4.214 2.764 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.577 5.001 2.266 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.643 4.781 3.646 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.697 6.326 2.643 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.756 6.107 4.022 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.785 6.878 3.519 1.00 0.00 C ATOM 0 H PHE A 107 5.924 3.943 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 107 5.593 1.370 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.984 2.219 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.435 2.358 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.291 4.575 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.839 4.180 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.504 6.928 2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.041 6.538 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.876 7.914 3.811 1.00 0.00 H new ATOM 1579 N ALA A 108 3.311 2.044 1.782 1.00 0.00 N ATOM 1580 CA ALA A 108 1.878 2.311 1.975 1.00 0.00 C ATOM 1581 C ALA A 108 1.308 1.452 3.109 1.00 0.00 C ATOM 1582 O ALA A 108 2.011 0.599 3.660 1.00 0.00 O ATOM 1583 CB ALA A 108 1.120 2.025 0.679 1.00 0.00 C ATOM 0 H ALA A 108 3.600 1.118 2.097 1.00 0.00 H new ATOM 0 HA ALA A 108 1.758 3.360 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.059 2.224 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.502 2.666 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.258 0.980 0.400 1.00 0.00 H new ATOM 1589 N PHE A 109 0.045 1.709 3.475 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.644 0.927 4.506 1.00 0.00 C ATOM 1591 C PHE A 109 -1.821 0.201 3.865 1.00 0.00 C ATOM 1592 O PHE A 109 -2.465 0.741 2.960 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.151 1.810 5.657 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.079 2.614 6.342 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.244 3.885 5.894 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.601 2.099 7.433 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.224 4.628 6.523 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.583 2.837 8.067 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.895 4.103 7.610 1.00 0.00 C ATOM 0 H PHE A 109 -0.520 2.455 3.070 1.00 0.00 H new ATOM 0 HA PHE A 109 0.067 0.216 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.908 2.492 5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.641 1.176 6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.276 4.299 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.361 1.109 7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.465 5.618 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.105 2.425 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.663 4.681 8.102 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.103 -1.014 4.333 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.204 -1.805 3.787 1.00 0.00 C ATOM 1611 C VAL A 110 -4.281 -2.047 4.856 1.00 0.00 C ATOM 1612 O VAL A 110 -3.975 -2.459 5.979 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.681 -3.145 3.156 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.023 -4.070 4.184 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.787 -3.882 2.400 1.00 0.00 C ATOM 0 H VAL A 110 -1.587 -1.470 5.085 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.669 -1.238 2.981 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.908 -2.858 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.682 -4.979 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.172 -3.562 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.747 -4.328 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.387 -4.804 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.600 -4.120 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.163 -3.248 1.597 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.535 -1.783 4.475 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.677 -1.952 5.367 1.00 0.00 C ATOM 1627 C GLU A 111 -7.483 -3.189 4.967 1.00 0.00 C ATOM 1628 O GLU A 111 -7.884 -3.330 3.809 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.560 -0.692 5.311 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.523 -0.543 6.485 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.549 0.561 6.284 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.204 0.591 5.219 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.700 1.398 7.199 1.00 0.00 O ATOM 0 H GLU A 111 -5.782 -1.448 3.544 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.321 -2.093 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.916 0.186 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.135 -0.707 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.043 -1.488 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.952 -0.339 7.391 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.714 -4.073 5.939 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.480 -5.297 5.713 1.00 0.00 C ATOM 1642 C PHE A 112 -9.813 -5.242 6.447 1.00 0.00 C ATOM 1643 O PHE A 112 -9.891 -4.731 7.567 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.684 -6.524 6.161 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.637 -6.972 5.174 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.346 -6.471 5.225 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.949 -7.904 4.194 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.390 -6.891 4.318 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.996 -8.324 3.288 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.718 -7.817 3.351 1.00 0.00 C ATOM 0 H PHE A 112 -7.379 -3.962 6.896 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.675 -5.379 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.200 -6.302 7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.376 -7.347 6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.084 -5.745 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.950 -8.306 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.387 -6.494 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.253 -9.050 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.972 -8.145 2.642 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.861 -5.776 5.801 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.218 -5.807 6.371 1.00 0.00 C ATOM 1662 C GLU A 113 -12.267 -6.676 7.641 1.00 0.00 C ATOM 1663 O GLU A 113 -12.981 -6.356 8.595 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.210 -6.335 5.320 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.673 -6.051 5.634 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.628 -6.718 4.660 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.642 -7.967 4.599 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.360 -5.991 3.957 1.00 0.00 O ATOM 0 H GLU A 113 -10.793 -6.196 4.874 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.499 -4.792 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.966 -5.893 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.075 -7.412 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.895 -6.393 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.840 -4.974 5.618 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.502 -7.772 7.626 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.431 -8.695 8.758 1.00 0.00 C ATOM 1677 C LEU A 114 -10.026 -8.712 9.355 1.00 0.00 C ATOM 1678 O LEU A 114 -9.049 -8.942 8.640 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.805 -10.114 8.302 1.00 0.00 C ATOM 1680 CG LEU A 114 -13.028 -10.743 8.979 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -14.310 -10.360 8.249 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.880 -12.259 9.022 1.00 0.00 C ATOM 0 H LEU A 114 -10.919 -8.041 6.834 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.134 -8.356 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.982 -10.093 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.947 -10.765 8.471 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.090 -10.362 9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -15.164 -10.818 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -14.424 -9.276 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -14.261 -10.711 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.754 -12.696 9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.795 -12.645 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.985 -12.521 9.586 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.923 -8.454 10.668 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.638 -8.481 11.375 1.00 0.00 C ATOM 1696 C ALA A 115 -7.967 -9.863 11.307 1.00 0.00 C ATOM 1697 O ALA A 115 -6.747 -9.973 11.450 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.825 -8.055 12.823 1.00 0.00 C ATOM 0 H ALA A 115 -10.720 -8.224 11.262 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.976 -7.775 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.864 -8.079 13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.228 -7.043 12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.517 -8.737 13.316 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.786 -10.908 11.090 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.302 -12.292 10.981 1.00 0.00 C ATOM 1706 C GLU A 116 -7.472 -12.501 9.708 1.00 0.00 C ATOM 1707 O GLU A 116 -6.368 -13.056 9.760 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.495 -13.262 10.987 1.00 0.00 C ATOM 1709 CG GLU A 116 -10.189 -13.415 12.340 1.00 0.00 C ATOM 1710 CD GLU A 116 -9.320 -14.063 13.412 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.788 -15.168 13.166 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -9.172 -13.462 14.496 1.00 0.00 O ATOM 0 H GLU A 116 -9.796 -10.816 10.986 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.659 -12.491 11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.227 -12.920 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.150 -14.242 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.505 -12.432 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.092 -14.012 12.209 1.00 0.00 H new ATOM 1719 N ASP A 117 -8.009 -12.029 8.568 1.00 0.00 N ATOM 1720 CA ASP A 117 -7.325 -12.142 7.271 1.00 0.00 C ATOM 1721 C ASP A 117 -6.077 -11.241 7.214 1.00 0.00 C ATOM 1722 O ASP A 117 -5.089 -11.582 6.558 1.00 0.00 O ATOM 1723 CB ASP A 117 -8.298 -11.874 6.096 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.935 -10.487 6.074 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.227 -9.493 6.326 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -10.148 -10.403 5.789 1.00 0.00 O ATOM 0 H ASP A 117 -8.916 -11.565 8.521 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.977 -13.169 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.759 -12.022 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.093 -12.619 6.128 1.00 0.00 H new ATOM 1731 N ALA A 118 -6.145 -10.090 7.912 1.00 0.00 N ATOM 1732 CA ALA A 118 -5.029 -9.134 7.990 1.00 0.00 C ATOM 1733 C ALA A 118 -3.848 -9.742 8.753 1.00 0.00 C ATOM 1734 O ALA A 118 -2.687 -9.598 8.349 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.483 -7.852 8.668 1.00 0.00 C ATOM 0 H ALA A 118 -6.972 -9.800 8.434 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.703 -8.903 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.649 -7.153 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.296 -7.406 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.831 -8.077 9.676 1.00 0.00 H new ATOM 1741 N ALA A 119 -4.170 -10.439 9.861 1.00 0.00 N ATOM 1742 CA ALA A 119 -3.167 -11.123 10.685 1.00 0.00 C ATOM 1743 C ALA A 119 -2.501 -12.229 9.872 1.00 0.00 C ATOM 1744 O ALA A 119 -1.328 -12.556 10.079 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.810 -11.699 11.938 1.00 0.00 C ATOM 0 H ALA A 119 -5.126 -10.540 10.203 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.409 -10.402 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.052 -12.203 12.537 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.257 -10.894 12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.583 -12.414 11.655 1.00 0.00 H new ATOM 1751 N ALA A 120 -3.284 -12.786 8.931 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.812 -13.836 8.023 1.00 0.00 C ATOM 1753 C ALA A 120 -1.778 -13.279 7.044 1.00 0.00 C ATOM 1754 O ALA A 120 -0.838 -13.975 6.655 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.982 -14.446 7.263 1.00 0.00 C ATOM 0 H ALA A 120 -4.257 -12.519 8.782 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.337 -14.615 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.615 -15.224 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.689 -14.880 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.481 -13.671 6.681 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.967 -12.004 6.665 1.00 0.00 N ATOM 1762 CA ALA A 121 -1.065 -11.302 5.746 1.00 0.00 C ATOM 1763 C ALA A 121 0.311 -11.060 6.380 1.00 0.00 C ATOM 1764 O ALA A 121 1.335 -11.156 5.699 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.687 -9.981 5.307 1.00 0.00 C ATOM 0 H ALA A 121 -2.749 -11.435 6.988 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.918 -11.936 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.009 -9.468 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.633 -10.175 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.865 -9.354 6.181 1.00 0.00 H new ATOM 1771 N ILE A 122 0.319 -10.747 7.691 1.00 0.00 N ATOM 1772 CA ILE A 122 1.570 -10.489 8.432 1.00 0.00 C ATOM 1773 C ILE A 122 2.405 -11.769 8.637 1.00 0.00 C ATOM 1774 O ILE A 122 3.636 -11.714 8.568 1.00 0.00 O ATOM 1775 CB ILE A 122 1.311 -9.774 9.801 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.640 -8.407 9.561 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.623 -9.582 10.585 1.00 0.00 C ATOM 1778 CD1 ILE A 122 -0.132 -7.858 10.745 1.00 0.00 C ATOM 0 H ILE A 122 -0.525 -10.667 8.258 1.00 0.00 H new ATOM 0 HA ILE A 122 2.152 -9.811 7.807 1.00 0.00 H new ATOM 0 HB ILE A 122 0.649 -10.405 10.394 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.408 -7.686 9.281 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -0.039 -8.496 8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.412 -9.083 11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.076 -10.554 10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.311 -8.973 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.567 -6.894 10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.927 -8.553 11.015 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.542 -7.731 11.592 1.00 0.00 H new ATOM 1790 N ASP A 123 1.741 -12.907 8.889 1.00 0.00 N ATOM 1791 CA ASP A 123 2.450 -14.177 9.107 1.00 0.00 C ATOM 1792 C ASP A 123 2.832 -14.885 7.792 1.00 0.00 C ATOM 1793 O ASP A 123 3.684 -15.779 7.799 1.00 0.00 O ATOM 1794 CB ASP A 123 1.626 -15.116 10.012 1.00 0.00 C ATOM 1795 CG ASP A 123 0.376 -15.680 9.355 1.00 0.00 C ATOM 1796 OD1 ASP A 123 0.466 -16.757 8.730 1.00 0.00 O ATOM 1797 OD2 ASP A 123 -0.686 -15.041 9.466 1.00 0.00 O ATOM 0 H ASP A 123 0.725 -12.975 8.947 1.00 0.00 H new ATOM 0 HA ASP A 123 3.384 -13.928 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.260 -15.944 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.336 -14.573 10.911 1.00 0.00 H new ATOM 1802 N ASN A 124 2.205 -14.483 6.677 1.00 0.00 N ATOM 1803 CA ASN A 124 2.466 -15.106 5.376 1.00 0.00 C ATOM 1804 C ASN A 124 3.535 -14.378 4.551 1.00 0.00 C ATOM 1805 O ASN A 124 4.445 -15.026 4.026 1.00 0.00 O ATOM 1806 CB ASN A 124 1.170 -15.222 4.563 1.00 0.00 C ATOM 1807 CG ASN A 124 0.201 -16.261 5.115 1.00 0.00 C ATOM 1808 OD1 ASN A 124 0.597 -17.214 5.791 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -1.081 -16.080 4.826 1.00 0.00 N ATOM 0 H ASN A 124 1.516 -13.731 6.652 1.00 0.00 H new ATOM 0 HA ASN A 124 2.859 -16.099 5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.676 -14.251 4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.418 -15.478 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.779 -16.742 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.369 -15.279 4.264 1.00 0.00 H new ATOM 1816 N MET A 125 3.434 -13.041 4.433 1.00 0.00 N ATOM 1817 CA MET A 125 4.396 -12.275 3.632 1.00 0.00 C ATOM 1818 C MET A 125 4.953 -11.061 4.389 1.00 0.00 C ATOM 1819 O MET A 125 4.909 -9.928 3.895 1.00 0.00 O ATOM 1820 CB MET A 125 3.748 -11.838 2.305 1.00 0.00 C ATOM 1821 CG MET A 125 3.534 -12.976 1.317 1.00 0.00 C ATOM 1822 SD MET A 125 2.883 -12.409 -0.265 1.00 0.00 S ATOM 1823 CE MET A 125 2.660 -13.968 -1.118 1.00 0.00 C ATOM 0 H MET A 125 2.707 -12.480 4.876 1.00 0.00 H new ATOM 0 HA MET A 125 5.242 -12.930 3.422 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.787 -11.370 2.518 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.376 -11.079 1.839 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.480 -13.492 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.846 -13.703 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.261 -13.783 -2.116 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.620 -14.479 -1.200 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.963 -14.592 -0.559 1.00 0.00 H new ATOM 1833 N ASN A 126 5.489 -11.308 5.595 1.00 0.00 N ATOM 1834 CA ASN A 126 6.088 -10.245 6.422 1.00 0.00 C ATOM 1835 C ASN A 126 7.334 -9.653 5.737 1.00 0.00 C ATOM 1836 O ASN A 126 7.578 -8.448 5.810 1.00 0.00 O ATOM 1837 CB ASN A 126 6.455 -10.798 7.807 1.00 0.00 C ATOM 1838 CG ASN A 126 6.535 -9.722 8.880 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.180 -8.687 8.696 1.00 0.00 O ATOM 1840 ND2 ASN A 126 5.878 -9.963 10.008 1.00 0.00 N ATOM 0 H ASN A 126 5.520 -12.235 6.020 1.00 0.00 H new ATOM 0 HA ASN A 126 5.354 -9.448 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.715 -11.542 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.415 -11.311 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 126 5.895 -9.279 10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.357 -10.833 10.119 1.00 0.00 H new ATOM 1847 N GLU A 127 8.108 -10.530 5.080 1.00 0.00 N ATOM 1848 CA GLU A 127 9.322 -10.144 4.352 1.00 0.00 C ATOM 1849 C GLU A 127 9.454 -10.985 3.079 1.00 0.00 C ATOM 1850 O GLU A 127 10.234 -11.943 3.010 1.00 0.00 O ATOM 1851 CB GLU A 127 10.567 -10.289 5.243 1.00 0.00 C ATOM 1852 CG GLU A 127 10.682 -9.199 6.294 1.00 0.00 C ATOM 1853 CD GLU A 127 11.856 -9.409 7.230 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.958 -8.909 6.922 1.00 0.00 O ATOM 1855 OE2 GLU A 127 11.673 -10.074 8.272 1.00 0.00 O ATOM 0 H GLU A 127 7.907 -11.529 5.040 1.00 0.00 H new ATOM 0 HA GLU A 127 9.243 -9.094 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.541 -11.260 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.458 -10.275 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 127 10.785 -8.233 5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.761 -9.163 6.876 1.00 0.00 H new ATOM 1862 N SER A 128 8.659 -10.610 2.078 1.00 0.00 N ATOM 1863 CA SER A 128 8.634 -11.300 0.785 1.00 0.00 C ATOM 1864 C SER A 128 9.015 -10.357 -0.355 1.00 0.00 C ATOM 1865 O SER A 128 8.970 -9.135 -0.196 1.00 0.00 O ATOM 1866 CB SER A 128 7.244 -11.894 0.536 1.00 0.00 C ATOM 1867 OG SER A 128 6.891 -12.815 1.554 1.00 0.00 O ATOM 0 H SER A 128 8.015 -9.821 2.138 1.00 0.00 H new ATOM 0 HA SER A 128 9.370 -12.104 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.506 -11.093 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.227 -12.394 -0.432 1.00 0.00 H new ATOM 0 HG SER A 128 6.732 -13.697 1.157 1.00 0.00 H new ATOM 1873 N GLU A 129 9.414 -10.933 -1.498 1.00 0.00 N ATOM 1874 CA GLU A 129 9.798 -10.151 -2.669 1.00 0.00 C ATOM 1875 C GLU A 129 8.582 -9.891 -3.570 1.00 0.00 C ATOM 1876 O GLU A 129 7.960 -10.827 -4.084 1.00 0.00 O ATOM 1877 CB GLU A 129 10.899 -10.888 -3.442 1.00 0.00 C ATOM 1878 CG GLU A 129 11.734 -9.990 -4.341 1.00 0.00 C ATOM 1879 CD GLU A 129 12.740 -10.763 -5.172 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.709 -11.296 -4.590 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.561 -10.834 -6.407 1.00 0.00 O ATOM 0 H GLU A 129 9.477 -11.942 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 129 10.182 -9.185 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.558 -11.385 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.441 -11.668 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.073 -9.432 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.261 -9.259 -3.728 1.00 0.00 H new ATOM 1888 N LEU A 130 8.258 -8.608 -3.736 1.00 0.00 N ATOM 1889 CA LEU A 130 7.134 -8.174 -4.566 1.00 0.00 C ATOM 1890 C LEU A 130 7.597 -7.098 -5.548 1.00 0.00 C ATOM 1891 O LEU A 130 8.251 -6.129 -5.151 1.00 0.00 O ATOM 1892 CB LEU A 130 5.991 -7.648 -3.677 1.00 0.00 C ATOM 1893 CG LEU A 130 4.635 -7.439 -4.372 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.821 -8.727 -4.377 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.859 -6.320 -3.694 1.00 0.00 C ATOM 0 H LEU A 130 8.768 -7.840 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 130 6.760 -9.024 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.850 -8.346 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.304 -6.699 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 130 4.823 -7.155 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.867 -8.552 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.371 -9.503 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.642 -9.048 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.902 -6.184 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.686 -6.578 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.432 -5.395 -3.749 1.00 0.00 H new ATOM 1907 N PHE A 131 7.253 -7.280 -6.842 1.00 0.00 N ATOM 1908 CA PHE A 131 7.623 -6.341 -7.935 1.00 0.00 C ATOM 1909 C PHE A 131 9.154 -6.242 -8.128 1.00 0.00 C ATOM 1910 O PHE A 131 9.647 -5.329 -8.804 1.00 0.00 O ATOM 1911 CB PHE A 131 7.018 -4.938 -7.693 1.00 0.00 C ATOM 1912 CG PHE A 131 6.539 -4.255 -8.947 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.423 -3.552 -9.752 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.203 -4.314 -9.318 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.984 -2.922 -10.902 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.761 -3.686 -10.466 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.652 -2.989 -11.260 1.00 0.00 C ATOM 0 H PHE A 131 6.710 -8.082 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 131 7.203 -6.749 -8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.183 -5.028 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.766 -4.309 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.466 -3.496 -9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.501 -4.857 -8.702 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.683 -2.378 -11.520 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.719 -3.740 -10.743 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.307 -2.498 -12.158 1.00 0.00 H new ATOM 1927 N GLY A 132 9.890 -7.200 -7.546 1.00 0.00 N ATOM 1928 CA GLY A 132 11.346 -7.218 -7.650 1.00 0.00 C ATOM 1929 C GLY A 132 12.041 -6.579 -6.455 1.00 0.00 C ATOM 1930 O GLY A 132 13.269 -6.446 -6.451 1.00 0.00 O ATOM 0 H GLY A 132 9.497 -7.968 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.684 -8.249 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.645 -6.695 -8.558 1.00 0.00 H new ATOM 1934 N ARG A 133 11.254 -6.184 -5.446 1.00 0.00 N ATOM 1935 CA ARG A 133 11.783 -5.551 -4.233 1.00 0.00 C ATOM 1936 C ARG A 133 11.293 -6.279 -2.983 1.00 0.00 C ATOM 1937 O ARG A 133 10.246 -6.928 -3.009 1.00 0.00 O ATOM 1938 CB ARG A 133 11.354 -4.080 -4.159 1.00 0.00 C ATOM 1939 CG ARG A 133 11.955 -3.191 -5.238 1.00 0.00 C ATOM 1940 CD ARG A 133 11.535 -1.740 -5.052 1.00 0.00 C ATOM 1941 NE ARG A 133 12.291 -1.074 -3.984 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.722 0.194 -4.029 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.484 0.967 -5.087 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.398 0.693 -3.002 1.00 0.00 N ATOM 0 H ARG A 133 10.240 -6.293 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 133 12.871 -5.608 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.267 -4.028 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.632 -3.683 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.042 -3.264 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.638 -3.541 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.679 -1.200 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.471 -1.699 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 133 12.504 -1.616 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.965 0.596 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.821 1.930 -5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.587 0.112 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.729 1.657 -3.030 1.00 0.00 H new ATOM 1958 N THR A 134 12.056 -6.159 -1.886 1.00 0.00 N ATOM 1959 CA THR A 134 11.696 -6.787 -0.609 1.00 0.00 C ATOM 1960 C THR A 134 10.703 -5.898 0.146 1.00 0.00 C ATOM 1961 O THR A 134 10.911 -4.685 0.253 1.00 0.00 O ATOM 1962 CB THR A 134 12.943 -7.040 0.277 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.091 -7.301 -0.542 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.725 -8.224 1.216 1.00 0.00 C ATOM 0 H THR A 134 12.928 -5.631 -1.860 1.00 0.00 H new ATOM 0 HA THR A 134 11.238 -7.751 -0.831 1.00 0.00 H new ATOM 0 HB THR A 134 13.109 -6.143 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.872 -7.457 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.617 -8.376 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.874 -8.021 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.528 -9.122 0.630 1.00 0.00 H new ATOM 1972 N ILE A 135 9.633 -6.508 0.664 1.00 0.00 N ATOM 1973 CA ILE A 135 8.598 -5.764 1.391 1.00 0.00 C ATOM 1974 C ILE A 135 8.477 -6.220 2.846 1.00 0.00 C ATOM 1975 O ILE A 135 8.767 -7.374 3.172 1.00 0.00 O ATOM 1976 CB ILE A 135 7.202 -5.843 0.693 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.759 -7.303 0.442 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.223 -5.055 -0.617 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.289 -7.559 0.713 1.00 0.00 C ATOM 0 H ILE A 135 9.460 -7.511 0.594 1.00 0.00 H new ATOM 0 HA ILE A 135 8.923 -4.724 1.380 1.00 0.00 H new ATOM 0 HB ILE A 135 6.471 -5.397 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.978 -7.565 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.354 -7.965 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.245 -5.117 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.460 -4.011 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.979 -5.474 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.059 -8.606 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.066 -7.331 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.684 -6.925 0.065 1.00 0.00 H new ATOM 1991 N ARG A 136 8.044 -5.290 3.704 1.00 0.00 N ATOM 1992 CA ARG A 136 7.860 -5.565 5.132 1.00 0.00 C ATOM 1993 C ARG A 136 6.422 -5.263 5.524 1.00 0.00 C ATOM 1994 O ARG A 136 5.885 -4.220 5.136 1.00 0.00 O ATOM 1995 CB ARG A 136 8.791 -4.698 5.998 1.00 0.00 C ATOM 1996 CG ARG A 136 10.264 -4.777 5.630 1.00 0.00 C ATOM 1997 CD ARG A 136 11.141 -4.159 6.709 1.00 0.00 C ATOM 1998 NE ARG A 136 12.544 -4.068 6.290 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.595 -4.171 7.115 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.429 -4.373 8.422 1.00 0.00 N ATOM 2001 NH2 ARG A 136 14.824 -4.072 6.627 1.00 0.00 N ATOM 0 H ARG A 136 7.813 -4.335 3.431 1.00 0.00 H new ATOM 0 HA ARG A 136 8.098 -6.615 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.468 -3.659 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.675 -4.995 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.548 -5.819 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.432 -4.263 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.770 -3.163 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.072 -4.756 7.618 1.00 0.00 H new ATOM 0 HE ARG A 136 12.733 -3.915 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.489 -4.452 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.242 -4.449 9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.965 -3.918 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.628 -4.150 7.250 1.00 0.00 H new ATOM 2015 N VAL A 137 5.797 -6.164 6.288 1.00 0.00 N ATOM 2016 CA VAL A 137 4.419 -5.944 6.731 1.00 0.00 C ATOM 2017 C VAL A 137 4.286 -6.178 8.241 1.00 0.00 C ATOM 2018 O VAL A 137 4.823 -7.151 8.781 1.00 0.00 O ATOM 2019 CB VAL A 137 3.349 -6.774 5.919 1.00 0.00 C ATOM 2020 CG1 VAL A 137 3.835 -7.161 4.524 1.00 0.00 C ATOM 2021 CG2 VAL A 137 2.882 -8.012 6.656 1.00 0.00 C ATOM 0 H VAL A 137 6.215 -7.038 6.608 1.00 0.00 H new ATOM 0 HA VAL A 137 4.196 -4.898 6.519 1.00 0.00 H new ATOM 0 HB VAL A 137 2.499 -6.100 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.058 -7.730 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.059 -6.260 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.735 -7.770 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.148 -8.542 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.734 -8.665 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.428 -7.722 7.603 1.00 0.00 H new ATOM 2031 N ASN A 138 3.581 -5.254 8.904 1.00 0.00 N ATOM 2032 CA ASN A 138 3.345 -5.308 10.356 1.00 0.00 C ATOM 2033 C ASN A 138 2.061 -4.560 10.718 1.00 0.00 C ATOM 2034 O ASN A 138 1.466 -3.902 9.866 1.00 0.00 O ATOM 2035 CB ASN A 138 4.533 -4.714 11.129 1.00 0.00 C ATOM 2036 CG ASN A 138 5.545 -5.768 11.530 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.226 -6.703 12.264 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.771 -5.623 11.050 1.00 0.00 N ATOM 0 H ASN A 138 3.156 -4.445 8.450 1.00 0.00 H new ATOM 0 HA ASN A 138 3.237 -6.355 10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.023 -3.959 10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.166 -4.208 12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.495 -6.302 11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.991 -4.832 10.445 1.00 0.00 H new ATOM 2045 N LEU A 139 1.636 -4.666 11.988 1.00 0.00 N ATOM 2046 CA LEU A 139 0.419 -3.989 12.467 1.00 0.00 C ATOM 2047 C LEU A 139 0.628 -2.468 12.512 1.00 0.00 C ATOM 2048 O LEU A 139 1.618 -1.986 13.072 1.00 0.00 O ATOM 2049 CB LEU A 139 0.039 -4.508 13.868 1.00 0.00 C ATOM 2050 CG LEU A 139 -1.420 -4.270 14.308 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -1.857 -5.341 15.293 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.590 -2.888 14.932 1.00 0.00 C ATOM 0 H LEU A 139 2.117 -5.214 12.701 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.392 -4.209 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.237 -5.579 13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.698 -4.039 14.598 1.00 0.00 H new ATOM 0 HG LEU A 139 -2.049 -4.323 13.420 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.889 -5.159 15.594 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.784 -6.321 14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.212 -5.312 16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.629 -2.750 15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.945 -2.802 15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.318 -2.124 14.204 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.316 -1.732 11.916 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.259 -0.271 11.872 1.00 0.00 C ATOM 2066 C ALA A 140 -1.162 0.347 12.935 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.650 0.230 10.489 1.00 0.00 C ATOM 0 H ALA A 140 -1.134 -2.130 11.455 1.00 0.00 H new ATOM 0 HA ALA A 140 0.766 0.034 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.603 1.319 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.038 -0.176 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.665 -0.094 10.258 1.00 0.00 H new