USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= 0.0287 X(o=0.048,f=-0.06) USER MOD Set 1.2: A 130 LYS NZ :NH3+ -113:sc= 0.0195 (180deg=0) USER MOD Set 2.1: A 88 GLN : amide:sc= -1.22! C(o=-0.49!,f=-8.2!) USER MOD Set 2.2: A 115 TYR OH : rot -132:sc= 0.726 USER MOD Set 3.1: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.833) USER MOD Single : A 76 ASN : amide:sc= -2.44 K(o=-2.4,f=-1.5) USER MOD Single : A 82 GLN : amide:sc= 0.127 X(o=0.13,f=-0.29) USER MOD Single : A 87 THR OG1 : rot -154:sc= 0.0448 USER MOD Single : A 93 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.094) USER MOD Single : A 106 ASN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 118 CYS SG : rot -130:sc= -0.738 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 160:sc= -0.0698 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 150:sc= -0.905 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 9.560 -5.657 3.240 1.00 0.00 N ATOM 916 CA PHE A 65 9.476 -4.362 3.904 1.00 0.00 C ATOM 917 C PHE A 65 9.017 -4.519 5.350 1.00 0.00 C ATOM 918 O PHE A 65 8.723 -5.626 5.801 1.00 0.00 O ATOM 919 CB PHE A 65 8.516 -3.439 3.150 1.00 0.00 C ATOM 920 CG PHE A 65 9.152 -2.731 1.989 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.371 -3.393 0.791 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.533 -1.403 2.095 1.00 0.00 C ATOM 923 CE1 PHE A 65 9.956 -2.744 -0.279 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.119 -0.749 1.028 1.00 0.00 C ATOM 925 CZ PHE A 65 10.331 -1.420 -0.161 1.00 0.00 C ATOM 0 HA PHE A 65 10.472 -3.918 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.670 -4.024 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.118 -2.698 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.081 -4.429 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.370 -0.873 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.120 -3.272 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.411 0.286 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.789 -0.910 -0.996 1.00 0.00 H new ATOM 935 N ARG A 66 8.959 -3.405 6.072 1.00 0.00 N ATOM 936 CA ARG A 66 8.535 -3.419 7.468 1.00 0.00 C ATOM 937 C ARG A 66 7.389 -2.438 7.698 1.00 0.00 C ATOM 938 O ARG A 66 7.437 -1.294 7.244 1.00 0.00 O ATOM 939 CB ARG A 66 9.714 -3.075 8.382 1.00 0.00 C ATOM 940 CG ARG A 66 9.935 -4.086 9.495 1.00 0.00 C ATOM 941 CD ARG A 66 10.315 -5.450 8.942 1.00 0.00 C ATOM 942 NE ARG A 66 10.109 -6.515 9.921 1.00 0.00 N ATOM 943 CZ ARG A 66 10.034 -7.806 9.607 1.00 0.00 C ATOM 944 NH1 ARG A 66 10.144 -8.197 8.343 1.00 0.00 N ATOM 945 NH2 ARG A 66 9.846 -8.710 10.560 1.00 0.00 N ATOM 0 H ARG A 66 9.200 -2.481 5.714 1.00 0.00 H new ATOM 0 HA ARG A 66 8.181 -4.422 7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.621 -3.005 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.547 -2.092 8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.722 -3.730 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.028 -4.175 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.723 -5.658 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.361 -5.438 8.634 1.00 0.00 H new ATOM 0 HE ARG A 66 10.017 -6.254 10.903 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.287 -7.506 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.086 -9.188 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.759 -8.415 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.788 -9.700 10.320 1.00 0.00 H new ATOM 959 N VAL A 67 6.361 -2.894 8.407 1.00 0.00 N ATOM 960 CA VAL A 67 5.204 -2.057 8.699 1.00 0.00 C ATOM 961 C VAL A 67 5.580 -0.898 9.617 1.00 0.00 C ATOM 962 O VAL A 67 6.113 -1.105 10.706 1.00 0.00 O ATOM 963 CB VAL A 67 4.073 -2.870 9.355 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.808 -2.033 9.469 1.00 0.00 C ATOM 965 CG2 VAL A 67 3.808 -4.146 8.571 1.00 0.00 C ATOM 0 H VAL A 67 6.306 -3.838 8.789 1.00 0.00 H new ATOM 0 HA VAL A 67 4.852 -1.662 7.746 1.00 0.00 H new ATOM 0 HB VAL A 67 4.388 -3.148 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.021 -2.625 9.935 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.008 -1.152 10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.487 -1.721 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.006 -4.707 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.516 -3.893 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.713 -4.754 8.549 1.00 0.00 H new ATOM 975 N GLY A 68 5.298 0.321 9.168 1.00 0.00 N ATOM 976 CA GLY A 68 5.614 1.494 9.962 1.00 0.00 C ATOM 977 C GLY A 68 6.809 2.254 9.422 1.00 0.00 C ATOM 978 O GLY A 68 7.536 2.899 10.179 1.00 0.00 O ATOM 0 H GLY A 68 4.857 0.517 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.748 2.155 9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.814 1.190 10.990 1.00 0.00 H new ATOM 982 N GLU A 69 7.013 2.180 8.111 1.00 0.00 N ATOM 983 CA GLU A 69 8.129 2.866 7.471 1.00 0.00 C ATOM 984 C GLU A 69 7.637 3.770 6.345 1.00 0.00 C ATOM 985 O GLU A 69 6.547 3.574 5.809 1.00 0.00 O ATOM 986 CB GLU A 69 9.133 1.850 6.921 1.00 0.00 C ATOM 987 CG GLU A 69 9.836 1.045 8.002 1.00 0.00 C ATOM 988 CD GLU A 69 11.313 0.856 7.720 1.00 0.00 C ATOM 989 OE1 GLU A 69 12.046 1.867 7.694 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.738 -0.303 7.526 1.00 0.00 O ATOM 0 H GLU A 69 6.420 1.652 7.471 1.00 0.00 H new ATOM 0 HA GLU A 69 8.622 3.484 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.614 1.166 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.880 2.375 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.714 1.548 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.359 0.069 8.091 1.00 0.00 H new ATOM 997 N ARG A 70 8.448 4.763 5.994 1.00 0.00 N ATOM 998 CA ARG A 70 8.096 5.699 4.932 1.00 0.00 C ATOM 999 C ARG A 70 8.557 5.180 3.573 1.00 0.00 C ATOM 1000 O ARG A 70 9.713 4.792 3.406 1.00 0.00 O ATOM 1001 CB ARG A 70 8.717 7.070 5.204 1.00 0.00 C ATOM 1002 CG ARG A 70 8.026 8.207 4.471 1.00 0.00 C ATOM 1003 CD ARG A 70 7.069 8.958 5.383 1.00 0.00 C ATOM 1004 NE ARG A 70 7.673 10.170 5.932 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.975 11.174 6.458 1.00 0.00 C ATOM 1006 NH1 ARG A 70 5.650 11.116 6.509 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.604 12.239 6.937 1.00 0.00 N ATOM 0 H ARG A 70 9.353 4.940 6.429 1.00 0.00 H new ATOM 0 HA ARG A 70 7.011 5.797 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.686 7.268 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.768 7.048 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.774 8.897 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.479 7.811 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.170 9.221 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.759 8.306 6.199 1.00 0.00 H new ATOM 0 HE ARG A 70 8.690 10.252 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.161 10.299 6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.121 11.889 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.622 12.288 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.069 13.009 7.340 1.00 0.00 H new ATOM 1021 N VAL A 71 7.645 5.179 2.606 1.00 0.00 N ATOM 1022 CA VAL A 71 7.958 4.708 1.262 1.00 0.00 C ATOM 1023 C VAL A 71 7.253 5.553 0.205 1.00 0.00 C ATOM 1024 O VAL A 71 6.227 6.176 0.477 1.00 0.00 O ATOM 1025 CB VAL A 71 7.556 3.234 1.074 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.460 2.324 1.893 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.097 3.026 1.449 1.00 0.00 C ATOM 0 H VAL A 71 6.684 5.499 2.728 1.00 0.00 H new ATOM 0 HA VAL A 71 9.037 4.801 1.139 1.00 0.00 H new ATOM 0 HB VAL A 71 7.677 2.976 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.160 1.286 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.493 2.452 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.375 2.581 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.831 1.978 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.947 3.303 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.466 3.648 0.814 1.00 0.00 H new ATOM 1037 N TRP A 72 7.811 5.568 -1.001 1.00 0.00 N ATOM 1038 CA TRP A 72 7.236 6.335 -2.100 1.00 0.00 C ATOM 1039 C TRP A 72 6.706 5.410 -3.189 1.00 0.00 C ATOM 1040 O TRP A 72 7.478 4.802 -3.931 1.00 0.00 O ATOM 1041 CB TRP A 72 8.281 7.284 -2.689 1.00 0.00 C ATOM 1042 CG TRP A 72 8.344 8.608 -1.991 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.994 9.824 -2.506 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.786 8.851 -0.651 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.192 10.808 -1.566 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.676 10.234 -0.420 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.261 8.031 0.375 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.026 10.816 0.796 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.610 8.610 1.582 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.490 9.990 1.784 1.00 0.00 C ATOM 0 H TRP A 72 8.661 5.058 -1.242 1.00 0.00 H new ATOM 0 HA TRP A 72 6.404 6.919 -1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.261 6.809 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.059 7.448 -3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.617 9.988 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.009 11.802 -1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.354 6.965 0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.935 11.881 0.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.981 7.987 2.382 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.769 10.411 2.738 1.00 0.00 H new ATOM 1061 N VAL A 73 5.384 5.307 -3.284 1.00 0.00 N ATOM 1062 CA VAL A 73 4.756 4.457 -4.287 1.00 0.00 C ATOM 1063 C VAL A 73 4.944 5.036 -5.684 1.00 0.00 C ATOM 1064 O VAL A 73 4.742 6.230 -5.903 1.00 0.00 O ATOM 1065 CB VAL A 73 3.251 4.273 -4.013 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.672 3.193 -4.914 1.00 0.00 C ATOM 1067 CG2 VAL A 73 3.012 3.940 -2.548 1.00 0.00 C ATOM 0 H VAL A 73 4.728 5.801 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 73 5.243 3.484 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 73 2.742 5.211 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.608 3.077 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.809 3.478 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.183 2.249 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.944 3.814 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.533 3.016 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.388 4.751 -1.924 1.00 0.00 H new ATOM 1077 N ASN A 74 5.337 4.184 -6.626 1.00 0.00 N ATOM 1078 CA ASN A 74 5.559 4.617 -8.001 1.00 0.00 C ATOM 1079 C ASN A 74 6.684 5.648 -8.075 1.00 0.00 C ATOM 1080 O ASN A 74 6.805 6.377 -9.060 1.00 0.00 O ATOM 1081 CB ASN A 74 4.271 5.204 -8.587 1.00 0.00 C ATOM 1082 CG ASN A 74 3.497 4.193 -9.409 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.995 3.678 -10.412 1.00 0.00 O ATOM 1084 ND2 ASN A 74 2.272 3.903 -8.990 1.00 0.00 N ATOM 0 H ASN A 74 5.508 3.192 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 74 5.853 3.746 -8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.640 5.569 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.517 6.063 -9.211 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.703 3.230 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.899 4.353 -8.154 1.00 0.00 H new ATOM 1091 N GLY A 75 7.507 5.702 -7.030 1.00 0.00 N ATOM 1092 CA GLY A 75 8.611 6.643 -7.001 1.00 0.00 C ATOM 1093 C GLY A 75 8.151 8.088 -7.010 1.00 0.00 C ATOM 1094 O GLY A 75 8.825 8.954 -7.567 1.00 0.00 O ATOM 0 H GLY A 75 7.428 5.110 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.212 6.463 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.256 6.466 -7.862 1.00 0.00 H new ATOM 1098 N ASN A 76 7.005 8.352 -6.389 1.00 0.00 N ATOM 1099 CA ASN A 76 6.465 9.707 -6.330 1.00 0.00 C ATOM 1100 C ASN A 76 5.163 9.747 -5.534 1.00 0.00 C ATOM 1101 O ASN A 76 4.221 10.450 -5.902 1.00 0.00 O ATOM 1102 CB ASN A 76 6.227 10.247 -7.742 1.00 0.00 C ATOM 1103 CG ASN A 76 5.247 9.398 -8.528 1.00 0.00 C ATOM 1104 OD1 ASN A 76 4.053 9.374 -8.232 1.00 0.00 O ATOM 1105 ND2 ASN A 76 5.749 8.697 -9.537 1.00 0.00 N ATOM 0 H ASN A 76 6.434 7.648 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 76 7.197 10.336 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.850 11.268 -7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.176 10.290 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.138 8.108 -10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.746 8.747 -9.747 1.00 0.00 H new ATOM 1112 N LYS A 77 5.115 8.991 -4.442 1.00 0.00 N ATOM 1113 CA LYS A 77 3.925 8.946 -3.598 1.00 0.00 C ATOM 1114 C LYS A 77 4.270 8.468 -2.189 1.00 0.00 C ATOM 1115 O LYS A 77 4.209 7.274 -1.899 1.00 0.00 O ATOM 1116 CB LYS A 77 2.872 8.025 -4.215 1.00 0.00 C ATOM 1117 CG LYS A 77 2.297 8.545 -5.522 1.00 0.00 C ATOM 1118 CD LYS A 77 1.159 7.668 -6.019 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.179 8.116 -5.453 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.952 8.930 -6.432 1.00 0.00 N ATOM 0 H LYS A 77 5.884 8.402 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 77 3.522 9.957 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.316 7.045 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.060 7.886 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.938 9.564 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.083 8.585 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.123 7.699 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.346 6.632 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.763 7.241 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.013 8.699 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.858 9.216 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.406 9.778 -6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.133 8.366 -7.287 1.00 0.00 H new ATOM 1134 N PRO A 78 4.638 9.398 -1.290 1.00 0.00 N ATOM 1135 CA PRO A 78 4.989 9.062 0.095 1.00 0.00 C ATOM 1136 C PRO A 78 3.814 8.466 0.862 1.00 0.00 C ATOM 1137 O PRO A 78 2.663 8.847 0.647 1.00 0.00 O ATOM 1138 CB PRO A 78 5.398 10.408 0.705 1.00 0.00 C ATOM 1139 CG PRO A 78 4.764 11.436 -0.167 1.00 0.00 C ATOM 1140 CD PRO A 78 4.737 10.845 -1.548 1.00 0.00 C ATOM 0 HA PRO A 78 5.773 8.306 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.051 10.496 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.482 10.520 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.757 11.672 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.332 12.366 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.888 11.210 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.637 11.094 -2.111 1.00 0.00 H new ATOM 1148 N GLY A 79 4.112 7.530 1.757 1.00 0.00 N ATOM 1149 CA GLY A 79 3.069 6.896 2.542 1.00 0.00 C ATOM 1150 C GLY A 79 3.627 5.980 3.613 1.00 0.00 C ATOM 1151 O GLY A 79 4.839 5.790 3.706 1.00 0.00 O ATOM 0 H GLY A 79 5.057 7.199 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.453 7.664 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.418 6.323 1.881 1.00 0.00 H new ATOM 1155 N PHE A 80 2.741 5.410 4.423 1.00 0.00 N ATOM 1156 CA PHE A 80 3.151 4.508 5.493 1.00 0.00 C ATOM 1157 C PHE A 80 2.621 3.099 5.250 1.00 0.00 C ATOM 1158 O PHE A 80 1.433 2.908 4.991 1.00 0.00 O ATOM 1159 CB PHE A 80 2.654 5.027 6.844 1.00 0.00 C ATOM 1160 CG PHE A 80 3.254 6.346 7.237 1.00 0.00 C ATOM 1161 CD1 PHE A 80 2.742 7.532 6.735 1.00 0.00 C ATOM 1162 CD2 PHE A 80 4.330 6.401 8.109 1.00 0.00 C ATOM 1163 CE1 PHE A 80 3.291 8.747 7.095 1.00 0.00 C ATOM 1164 CE2 PHE A 80 4.883 7.614 8.472 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.364 8.788 7.965 1.00 0.00 C ATOM 0 H PHE A 80 1.734 5.557 4.359 1.00 0.00 H new ATOM 0 HA PHE A 80 4.240 4.470 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.569 5.126 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.882 4.290 7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.904 7.506 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.741 5.486 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.882 9.664 6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.721 7.643 9.152 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.796 9.737 8.248 1.00 0.00 H new ATOM 1175 N ILE A 81 3.510 2.115 5.338 1.00 0.00 N ATOM 1176 CA ILE A 81 3.131 0.722 5.129 1.00 0.00 C ATOM 1177 C ILE A 81 2.389 0.168 6.339 1.00 0.00 C ATOM 1178 O ILE A 81 2.886 0.227 7.464 1.00 0.00 O ATOM 1179 CB ILE A 81 4.362 -0.160 4.847 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.237 0.478 3.766 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.929 -1.557 4.430 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.546 -0.250 3.541 1.00 0.00 C ATOM 0 H ILE A 81 4.497 2.256 5.552 1.00 0.00 H new ATOM 0 HA ILE A 81 2.473 0.700 4.261 1.00 0.00 H new ATOM 0 HB ILE A 81 4.949 -0.241 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.680 0.506 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.448 1.511 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.810 -2.168 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.344 -2.010 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.322 -1.495 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.115 0.257 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.123 -0.256 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.344 -1.276 3.233 1.00 0.00 H new ATOM 1194 N GLN A 82 1.198 -0.369 6.102 1.00 0.00 N ATOM 1195 CA GLN A 82 0.386 -0.935 7.174 1.00 0.00 C ATOM 1196 C GLN A 82 0.302 -2.452 7.050 1.00 0.00 C ATOM 1197 O GLN A 82 0.448 -3.174 8.038 1.00 0.00 O ATOM 1198 CB GLN A 82 -1.020 -0.330 7.149 1.00 0.00 C ATOM 1199 CG GLN A 82 -1.028 1.184 7.012 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.432 1.881 8.219 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -0.703 1.510 9.362 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.384 2.898 7.971 1.00 0.00 N ATOM 0 H GLN A 82 0.772 -0.425 5.177 1.00 0.00 H new ATOM 0 HA GLN A 82 0.862 -0.693 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.579 -0.765 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.542 -0.606 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.469 1.468 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.053 1.527 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.580 3.171 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.815 3.406 8.743 1.00 0.00 H new ATOM 1211 N PHE A 83 0.064 -2.931 5.833 1.00 0.00 N ATOM 1212 CA PHE A 83 -0.041 -4.363 5.581 1.00 0.00 C ATOM 1213 C PHE A 83 1.100 -4.843 4.689 1.00 0.00 C ATOM 1214 O PHE A 83 1.473 -4.172 3.726 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.385 -4.690 4.928 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.697 -6.159 4.897 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.160 -6.806 6.032 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.528 -6.892 3.734 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.449 -8.158 6.007 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.815 -8.244 3.702 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.275 -8.877 4.840 1.00 0.00 C ATOM 0 H PHE A 83 -0.060 -2.347 5.006 1.00 0.00 H new ATOM 0 HA PHE A 83 0.026 -4.881 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.177 -4.170 5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.387 -4.305 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.297 -6.248 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.168 -6.402 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.810 -8.651 6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.680 -8.804 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.499 -9.933 4.818 1.00 0.00 H new ATOM 1231 N LEU A 84 1.651 -6.007 5.016 1.00 0.00 N ATOM 1232 CA LEU A 84 2.749 -6.577 4.244 1.00 0.00 C ATOM 1233 C LEU A 84 2.623 -8.095 4.159 1.00 0.00 C ATOM 1234 O LEU A 84 2.974 -8.811 5.095 1.00 0.00 O ATOM 1235 CB LEU A 84 4.093 -6.196 4.871 1.00 0.00 C ATOM 1236 CG LEU A 84 4.774 -4.977 4.249 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.844 -4.429 5.181 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.374 -5.333 2.897 1.00 0.00 C ATOM 0 H LEU A 84 1.355 -6.574 5.810 1.00 0.00 H new ATOM 0 HA LEU A 84 2.701 -6.171 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.940 -6.005 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.767 -7.049 4.794 1.00 0.00 H new ATOM 0 HG LEU A 84 4.022 -4.203 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.318 -3.562 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.387 -4.135 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.595 -5.198 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.855 -4.453 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.113 -6.124 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.585 -5.677 2.228 1.00 0.00 H new ATOM 1250 N GLY A 85 2.120 -8.578 3.027 1.00 0.00 N ATOM 1251 CA GLY A 85 1.956 -10.007 2.839 1.00 0.00 C ATOM 1252 C GLY A 85 1.221 -10.340 1.556 1.00 0.00 C ATOM 1253 O GLY A 85 1.327 -9.617 0.566 1.00 0.00 O ATOM 0 H GLY A 85 1.823 -8.005 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.936 -10.484 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.409 -10.422 3.686 1.00 0.00 H new ATOM 1257 N GLU A 86 0.473 -11.438 1.573 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.283 -11.865 0.401 1.00 0.00 C ATOM 1259 C GLU A 86 -1.697 -11.293 0.429 1.00 0.00 C ATOM 1260 O GLU A 86 -2.078 -10.597 1.369 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.340 -13.392 0.331 1.00 0.00 C ATOM 1262 CG GLU A 86 0.953 -14.027 -0.154 1.00 0.00 C ATOM 1263 CD GLU A 86 0.866 -15.539 -0.233 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.174 -16.139 0.616 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.489 -16.121 -1.145 1.00 0.00 O ATOM 0 H GLU A 86 0.374 -12.048 2.384 1.00 0.00 H new ATOM 0 HA GLU A 86 0.226 -11.487 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.579 -13.784 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.152 -13.687 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.202 -13.629 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.765 -13.748 0.518 1.00 0.00 H new ATOM 1272 N THR A 87 -2.470 -11.593 -0.610 1.00 0.00 N ATOM 1273 CA THR A 87 -3.843 -11.111 -0.704 1.00 0.00 C ATOM 1274 C THR A 87 -4.773 -12.214 -1.198 1.00 0.00 C ATOM 1275 O THR A 87 -4.341 -13.342 -1.436 1.00 0.00 O ATOM 1276 CB THR A 87 -3.918 -9.905 -1.641 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.225 -10.163 -2.849 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.337 -8.642 -1.041 1.00 0.00 C ATOM 0 H THR A 87 -2.169 -12.167 -1.398 1.00 0.00 H new ATOM 0 HA THR A 87 -4.166 -10.808 0.292 1.00 0.00 H new ATOM 0 HB THR A 87 -4.981 -9.747 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.918 -9.317 -3.237 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.422 -7.826 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.883 -8.386 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.287 -8.804 -0.799 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.050 -11.881 -1.351 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.041 -12.844 -1.817 1.00 0.00 C ATOM 1288 C GLN A 88 -7.704 -12.364 -3.104 1.00 0.00 C ATOM 1289 O GLN A 88 -7.914 -13.142 -4.034 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.101 -13.080 -0.740 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.549 -13.706 0.531 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.421 -12.709 1.665 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.963 -11.606 1.603 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -6.699 -13.094 2.712 1.00 0.00 N ATOM 0 H GLN A 88 -6.423 -10.951 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.528 -13.783 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.572 -12.129 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.880 -13.726 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.201 -14.522 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.571 -14.141 0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.267 -14.018 2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.577 -12.466 3.506 1.00 0.00 H new ATOM 1303 N PHE A 89 -8.031 -11.077 -3.149 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.672 -10.492 -4.322 1.00 0.00 C ATOM 1305 C PHE A 89 -7.740 -10.534 -5.529 1.00 0.00 C ATOM 1306 O PHE A 89 -8.176 -10.784 -6.652 1.00 0.00 O ATOM 1307 CB PHE A 89 -9.088 -9.049 -4.033 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.930 -8.133 -3.756 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -7.393 -8.040 -2.481 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.379 -7.366 -4.769 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -6.328 -7.199 -2.224 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.313 -6.522 -4.517 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.786 -6.439 -3.242 1.00 0.00 C ATOM 0 H PHE A 89 -7.863 -10.419 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.560 -11.080 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.649 -8.664 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.762 -9.039 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.812 -8.631 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.787 -7.428 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.919 -7.136 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.893 -5.928 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.953 -5.782 -3.042 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.457 -10.287 -5.289 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.464 -10.296 -6.355 1.00 0.00 C ATOM 1325 C ALA A 90 -4.323 -11.259 -6.037 1.00 0.00 C ATOM 1326 O ALA A 90 -3.953 -11.432 -4.875 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.922 -8.893 -6.583 1.00 0.00 C ATOM 0 H ALA A 90 -6.081 -10.078 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.951 -10.640 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.181 -8.915 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.739 -8.228 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.457 -8.529 -5.667 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.748 -11.903 -7.068 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.644 -12.851 -6.889 1.00 0.00 C ATOM 1335 C PRO A 91 -1.330 -12.153 -6.557 1.00 0.00 C ATOM 1336 O PRO A 91 -1.242 -10.926 -6.588 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.553 -13.544 -8.248 1.00 0.00 C ATOM 1338 CG PRO A 91 -3.067 -12.537 -9.219 1.00 0.00 C ATOM 1339 CD PRO A 91 -4.126 -11.756 -8.487 1.00 0.00 C ATOM 0 HA PRO A 91 -2.821 -13.533 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.527 -13.830 -8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.150 -14.456 -8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.266 -11.882 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.481 -13.023 -10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.136 -10.710 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.122 -12.154 -8.680 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.310 -12.943 -6.239 1.00 0.00 N ATOM 1348 CA GLY A 92 0.987 -12.383 -5.906 1.00 0.00 C ATOM 1349 C GLY A 92 0.994 -11.705 -4.551 1.00 0.00 C ATOM 1350 O GLY A 92 0.070 -11.878 -3.757 1.00 0.00 O ATOM 0 H GLY A 92 -0.358 -13.961 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.735 -13.176 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.276 -11.662 -6.671 1.00 0.00 H new ATOM 1354 N GLN A 93 2.041 -10.930 -4.285 1.00 0.00 N ATOM 1355 CA GLN A 93 2.166 -10.223 -3.016 1.00 0.00 C ATOM 1356 C GLN A 93 1.703 -8.776 -3.150 1.00 0.00 C ATOM 1357 O GLN A 93 1.474 -8.285 -4.256 1.00 0.00 O ATOM 1358 CB GLN A 93 3.615 -10.264 -2.526 1.00 0.00 C ATOM 1359 CG GLN A 93 3.917 -11.444 -1.616 1.00 0.00 C ATOM 1360 CD GLN A 93 4.749 -11.052 -0.411 1.00 0.00 C ATOM 1361 OE1 GLN A 93 5.757 -11.688 -0.106 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.329 -9.999 0.281 1.00 0.00 N ATOM 0 H GLN A 93 2.815 -10.776 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 93 1.528 -10.723 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.280 -10.302 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.836 -9.339 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.980 -11.886 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.445 -12.210 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.487 -9.501 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.848 -9.688 1.102 1.00 0.00 H new ATOM 1371 N TRP A 94 1.569 -8.096 -2.015 1.00 0.00 N ATOM 1372 CA TRP A 94 1.133 -6.704 -2.003 1.00 0.00 C ATOM 1373 C TRP A 94 1.575 -6.009 -0.719 1.00 0.00 C ATOM 1374 O TRP A 94 1.927 -6.663 0.262 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.387 -6.620 -2.144 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.895 -7.158 -3.447 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.238 -8.450 -3.724 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.116 -6.416 -4.653 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.659 -8.557 -5.027 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.594 -7.322 -5.618 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -0.958 -5.073 -5.010 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -1.914 -6.929 -6.915 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.276 -4.685 -6.297 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.749 -5.610 -7.236 1.00 0.00 C ATOM 0 H TRP A 94 1.756 -8.487 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 94 1.596 -6.197 -2.850 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.851 -7.171 -1.326 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.697 -5.580 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.186 -9.268 -3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.970 -9.416 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.594 -4.352 -4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.279 -7.640 -7.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.158 -3.651 -6.584 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.988 -5.275 -8.234 1.00 0.00 H new ATOM 1395 N ALA A 95 1.554 -4.681 -0.735 1.00 0.00 N ATOM 1396 CA ALA A 95 1.951 -3.897 0.429 1.00 0.00 C ATOM 1397 C ALA A 95 1.034 -2.695 0.620 1.00 0.00 C ATOM 1398 O ALA A 95 1.103 -1.722 -0.132 1.00 0.00 O ATOM 1399 CB ALA A 95 3.397 -3.443 0.291 1.00 0.00 C ATOM 0 H ALA A 95 1.267 -4.125 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 95 1.863 -4.532 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.680 -2.859 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.046 -4.315 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.502 -2.829 -0.604 1.00 0.00 H new ATOM 1405 N GLY A 96 0.172 -2.769 1.629 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.748 -1.680 1.901 1.00 0.00 C ATOM 1407 C GLY A 96 -0.047 -0.448 2.437 1.00 0.00 C ATOM 1408 O GLY A 96 0.665 -0.516 3.439 1.00 0.00 O ATOM 0 H GLY A 96 0.094 -3.564 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.281 -1.422 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.495 -2.011 2.622 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.249 0.684 1.769 1.00 0.00 N ATOM 1413 CA ILE A 97 0.367 1.938 2.183 1.00 0.00 C ATOM 1414 C ILE A 97 -0.680 3.033 2.358 1.00 0.00 C ATOM 1415 O ILE A 97 -1.684 3.063 1.647 1.00 0.00 O ATOM 1416 CB ILE A 97 1.423 2.410 1.165 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.402 1.278 0.844 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.168 3.627 1.697 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.713 1.148 -0.631 1.00 0.00 C ATOM 0 H ILE A 97 -0.836 0.757 0.938 1.00 0.00 H new ATOM 0 HA ILE A 97 0.855 1.749 3.139 1.00 0.00 H new ATOM 0 HB ILE A 97 0.913 2.694 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.331 1.446 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.987 0.337 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.910 3.948 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.461 4.437 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.667 3.369 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.413 0.326 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.793 0.949 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.158 2.075 -0.992 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.438 3.930 3.308 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.360 5.028 3.575 1.00 0.00 C ATOM 1433 C VAL A 98 -0.764 6.362 3.138 1.00 0.00 C ATOM 1434 O VAL A 98 0.359 6.702 3.509 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.726 5.106 5.069 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.804 6.152 5.304 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -2.173 3.744 5.583 1.00 0.00 C ATOM 0 H VAL A 98 0.388 3.918 3.906 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.264 4.829 2.999 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.837 5.405 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.048 6.191 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.442 7.127 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.696 5.889 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.427 3.820 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.047 3.412 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.365 3.024 5.455 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.524 7.113 2.348 1.00 0.00 N ATOM 1448 CA LEU A 99 -1.071 8.411 1.860 1.00 0.00 C ATOM 1449 C LEU A 99 -1.431 9.519 2.845 1.00 0.00 C ATOM 1450 O LEU A 99 -2.206 9.306 3.778 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.684 8.707 0.490 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.457 7.625 -0.566 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.480 7.749 -1.685 1.00 0.00 C ATOM 1454 CD2 LEU A 99 -0.043 7.712 -1.121 1.00 0.00 C ATOM 0 H LEU A 99 -2.456 6.845 2.032 1.00 0.00 H new ATOM 0 HA LEU A 99 0.014 8.377 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.757 8.854 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.273 9.647 0.120 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.582 6.650 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.303 6.971 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.484 7.637 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.387 8.728 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.102 6.935 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.109 8.690 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.674 7.574 -0.312 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.862 10.701 2.632 1.00 0.00 N ATOM 1467 CA ASP A 100 -1.121 11.841 3.503 1.00 0.00 C ATOM 1468 C ASP A 100 -1.960 12.896 2.789 1.00 0.00 C ATOM 1469 O ASP A 100 -1.782 14.095 3.004 1.00 0.00 O ATOM 1470 CB ASP A 100 0.197 12.458 3.974 1.00 0.00 C ATOM 1471 CG ASP A 100 0.069 13.133 5.325 1.00 0.00 C ATOM 1472 OD1 ASP A 100 -1.069 13.466 5.717 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.108 13.332 5.990 1.00 0.00 O ATOM 0 H ASP A 100 -0.219 10.894 1.864 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.680 11.484 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.959 11.681 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.538 13.186 3.238 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.878 12.443 1.940 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.745 13.349 1.197 1.00 0.00 C ATOM 1480 C GLU A 101 -4.744 12.570 0.342 1.00 0.00 C ATOM 1481 O GLU A 101 -4.412 11.519 -0.206 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.908 14.277 0.310 1.00 0.00 C ATOM 1483 CG GLU A 101 -3.041 15.746 0.672 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.910 16.657 -0.532 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -1.793 16.760 -1.081 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -3.926 17.268 -0.928 1.00 0.00 O ATOM 0 H GLU A 101 -3.040 11.454 1.750 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.302 13.950 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.860 13.987 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.206 14.139 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.008 15.913 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.277 16.006 1.405 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.984 13.076 0.214 1.00 0.00 N ATOM 1494 CA PRO A 102 -7.026 12.418 -0.583 1.00 0.00 C ATOM 1495 C PRO A 102 -6.624 12.271 -2.047 1.00 0.00 C ATOM 1496 O PRO A 102 -7.016 13.075 -2.893 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.235 13.354 -0.452 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.962 14.176 0.761 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.469 14.323 0.830 1.00 0.00 C ATOM 0 HA PRO A 102 -7.222 11.404 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.345 13.981 -1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.161 12.789 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.448 15.149 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.349 13.691 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.125 15.202 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.121 14.427 1.858 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.839 11.240 -2.339 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.382 10.988 -3.699 1.00 0.00 C ATOM 1509 C ILE A 103 -5.066 9.511 -3.908 1.00 0.00 C ATOM 1510 O ILE A 103 -4.222 9.158 -4.733 1.00 0.00 O ATOM 1511 CB ILE A 103 -4.129 11.820 -4.033 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -3.001 11.501 -3.050 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.456 13.306 -4.005 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.620 11.592 -3.664 1.00 0.00 C ATOM 0 H ILE A 103 -5.506 10.565 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.194 11.282 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.796 11.559 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.060 12.188 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.148 10.496 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.561 13.880 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.231 13.522 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.811 13.582 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.870 11.353 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.542 10.885 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.453 12.603 -4.035 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.747 8.653 -3.156 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.522 7.225 -3.274 1.00 0.00 C ATOM 1528 C GLY A 104 -6.525 6.552 -4.190 1.00 0.00 C ATOM 1529 O GLY A 104 -7.131 7.201 -5.042 1.00 0.00 O ATOM 0 H GLY A 104 -6.450 8.921 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.515 7.049 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.575 6.769 -2.285 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.696 5.245 -4.017 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.629 4.481 -4.836 1.00 0.00 C ATOM 1535 C LYS A 105 -8.509 3.588 -3.967 1.00 0.00 C ATOM 1536 O LYS A 105 -9.724 3.525 -4.155 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.867 3.628 -5.851 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.472 4.386 -7.110 1.00 0.00 C ATOM 1539 CD LYS A 105 -4.962 4.475 -7.260 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.433 5.819 -6.786 1.00 0.00 C ATOM 1541 NZ LYS A 105 -2.960 5.933 -6.969 1.00 0.00 N ATOM 0 H LYS A 105 -6.200 4.693 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.268 5.186 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.968 3.232 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.483 2.773 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.896 3.889 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.895 5.390 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.491 3.675 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.690 4.323 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.930 6.619 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.679 5.955 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.536 6.352 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.556 4.988 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.758 6.539 -7.790 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.889 2.898 -3.015 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.615 2.007 -2.119 1.00 0.00 C ATOM 1557 C ASN A 106 -8.726 2.610 -0.722 1.00 0.00 C ATOM 1558 O ASN A 106 -8.248 3.717 -0.473 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.918 0.648 -2.043 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.220 -0.225 -3.245 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -7.314 -0.657 -3.957 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -9.501 -0.490 -3.476 1.00 0.00 N ATOM 0 H ASN A 106 -6.884 2.939 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.620 1.872 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.841 0.799 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.231 0.132 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.766 -1.073 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.220 -0.111 -2.859 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.360 1.875 0.186 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.534 2.336 1.560 1.00 0.00 C ATOM 1571 C ASP A 107 -8.934 1.343 2.552 1.00 0.00 C ATOM 1572 O ASP A 107 -9.292 1.338 3.730 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.017 2.545 1.865 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.627 3.659 1.037 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.150 3.887 -0.096 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.580 4.306 1.521 1.00 0.00 O ATOM 0 H ASP A 107 -9.762 0.957 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.010 3.286 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.558 1.618 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.138 2.775 2.924 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.020 0.502 2.073 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.390 -0.479 2.935 1.00 0.00 C ATOM 1583 C GLY A 108 -8.090 -1.824 2.902 1.00 0.00 C ATOM 1584 O GLY A 108 -7.466 -2.861 3.129 1.00 0.00 O ATOM 0 H GLY A 108 -7.706 0.484 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.351 -0.608 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.380 -0.104 3.958 1.00 0.00 H new ATOM 1588 N SER A 109 -9.390 -1.809 2.622 1.00 0.00 N ATOM 1589 CA SER A 109 -10.174 -3.037 2.563 1.00 0.00 C ATOM 1590 C SER A 109 -10.624 -3.330 1.136 1.00 0.00 C ATOM 1591 O SER A 109 -11.046 -2.429 0.410 1.00 0.00 O ATOM 1592 CB SER A 109 -11.391 -2.935 3.483 1.00 0.00 C ATOM 1593 OG SER A 109 -12.035 -4.189 3.620 1.00 0.00 O ATOM 0 H SER A 109 -9.922 -0.960 2.433 1.00 0.00 H new ATOM 0 HA SER A 109 -9.540 -3.858 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.080 -2.574 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.093 -2.204 3.082 1.00 0.00 H new ATOM 0 HG SER A 109 -12.809 -4.096 4.214 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.533 -4.595 0.741 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.932 -5.009 -0.599 1.00 0.00 C ATOM 1601 C VAL A 110 -11.652 -6.354 -0.566 1.00 0.00 C ATOM 1602 O VAL A 110 -11.216 -7.285 0.110 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.717 -5.114 -1.541 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -10.171 -5.347 -2.974 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.855 -3.864 -1.444 1.00 0.00 C ATOM 0 H VAL A 110 -10.186 -5.352 1.330 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.610 -4.244 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.114 -5.968 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.299 -5.418 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.742 -6.274 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.798 -4.516 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.002 -3.957 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.445 -2.992 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.499 -3.746 -0.421 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.755 -6.446 -1.300 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.536 -7.677 -1.354 1.00 0.00 C ATOM 1617 C ALA A 111 -14.046 -8.063 0.030 1.00 0.00 C ATOM 1618 O ALA A 111 -14.192 -9.245 0.341 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.703 -8.804 -1.946 1.00 0.00 C ATOM 0 H ALA A 111 -13.129 -5.684 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.400 -7.504 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.298 -9.717 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.392 -8.535 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.821 -8.969 -1.327 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.314 -7.059 0.857 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.805 -7.313 2.199 1.00 0.00 C ATOM 1627 C GLY A 112 -13.722 -7.819 3.134 1.00 0.00 C ATOM 1628 O GLY A 112 -14.018 -8.334 4.212 1.00 0.00 O ATOM 0 H GLY A 112 -14.200 -6.073 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.230 -6.395 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.611 -8.045 2.154 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.465 -7.670 2.725 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.339 -8.116 3.538 1.00 0.00 C ATOM 1634 C VAL A 113 -10.472 -6.937 3.964 1.00 0.00 C ATOM 1635 O VAL A 113 -9.759 -6.352 3.149 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.468 -9.136 2.782 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.416 -9.729 3.705 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.332 -10.229 2.173 1.00 0.00 C ATOM 0 H VAL A 113 -12.201 -7.244 1.836 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.756 -8.596 4.423 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.955 -8.618 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.811 -10.447 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.777 -8.933 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.906 -10.232 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.699 -10.940 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.876 -10.746 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.042 -9.785 1.475 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.541 -6.590 5.245 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.762 -5.478 5.778 1.00 0.00 C ATOM 1650 C ARG A 114 -8.337 -5.912 6.101 1.00 0.00 C ATOM 1651 O ARG A 114 -8.120 -6.838 6.883 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.432 -4.917 7.035 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.114 -3.454 7.292 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.162 -2.803 8.179 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.450 -2.675 7.501 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.438 -1.892 7.929 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.290 -1.166 9.030 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.577 -1.834 7.253 1.00 0.00 N ATOM 0 H ARG A 114 -11.128 -7.062 5.933 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.720 -4.700 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.512 -5.035 6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.118 -5.505 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.135 -3.371 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.057 -2.921 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.287 -3.394 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -10.815 -1.817 8.487 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.601 -3.217 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.415 -1.206 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.051 -0.568 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.696 -2.389 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.334 -1.234 7.580 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.366 -5.236 5.494 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.960 -5.548 5.718 1.00 0.00 C ATOM 1674 C TYR A 115 -5.322 -4.532 6.660 1.00 0.00 C ATOM 1675 O TYR A 115 -4.488 -4.882 7.495 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.203 -5.572 4.389 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.820 -6.489 3.356 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -6.891 -6.069 2.577 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.332 -7.775 3.161 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.458 -6.904 1.634 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.893 -8.616 2.218 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.956 -8.175 1.457 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.518 -9.009 0.519 1.00 0.00 O ATOM 0 H TYR A 115 -7.528 -4.468 4.843 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.901 -6.534 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.162 -4.560 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.175 -5.884 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.287 -5.073 2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.501 -8.123 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.291 -6.562 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.501 -9.613 2.078 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.676 -9.890 0.918 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.723 -3.272 6.521 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.194 -2.203 7.360 1.00 0.00 C ATOM 1695 C PHE A 116 -6.159 -1.023 7.409 1.00 0.00 C ATOM 1696 O PHE A 116 -6.465 -0.415 6.383 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.831 -1.743 6.838 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.886 -1.128 5.473 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.803 -1.922 4.342 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -4.017 0.242 5.319 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.850 -1.363 3.082 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -4.063 0.808 4.061 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.979 0.004 2.942 1.00 0.00 C ATOM 0 H PHE A 116 -6.413 -2.967 5.835 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.074 -2.593 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.410 -1.020 7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.153 -2.596 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.700 -2.992 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.084 0.874 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.786 -1.993 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.165 1.878 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 116 -4.014 0.445 1.957 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.636 -0.705 8.608 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.568 0.401 8.790 1.00 0.00 C ATOM 1715 C GLN A 117 -6.907 1.732 8.443 1.00 0.00 C ATOM 1716 O GLN A 117 -5.922 2.128 9.064 1.00 0.00 O ATOM 1717 CB GLN A 117 -8.080 0.434 10.231 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.535 0.855 10.350 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.800 2.214 9.733 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.424 3.246 10.288 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -10.454 2.222 8.576 1.00 0.00 N ATOM 0 H GLN A 117 -6.392 -1.197 9.467 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.411 0.247 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.959 -0.555 10.673 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.463 1.120 10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.166 0.110 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.819 0.876 11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.748 1.343 8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.662 3.107 8.114 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.457 2.417 7.446 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.921 3.704 7.016 1.00 0.00 C ATOM 1732 C CYS A 118 -8.042 4.647 6.592 1.00 0.00 C ATOM 1733 O CYS A 118 -9.219 4.289 6.639 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.939 3.509 5.859 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.668 2.738 4.394 1.00 0.00 S ATOM 0 H CYS A 118 -8.273 2.103 6.921 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.395 4.151 7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.527 4.478 5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.106 2.896 6.203 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.918 1.751 4.004 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.670 5.853 6.177 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.643 6.849 5.745 1.00 0.00 C ATOM 1743 C GLU A 119 -9.018 6.640 4.279 1.00 0.00 C ATOM 1744 O GLU A 119 -8.204 6.175 3.483 1.00 0.00 O ATOM 1745 CB GLU A 119 -8.085 8.260 5.940 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.110 8.729 7.385 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.773 8.554 8.079 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.737 8.874 7.459 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.763 8.097 9.241 1.00 0.00 O ATOM 0 H GLU A 119 -6.700 6.165 6.131 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.539 6.732 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.058 8.290 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.660 8.957 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.397 9.780 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.873 8.174 7.930 1.00 0.00 H new ATOM 1756 N PRO A 120 -10.261 6.984 3.902 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.736 6.832 2.522 1.00 0.00 C ATOM 1758 C PRO A 120 -9.879 7.608 1.528 1.00 0.00 C ATOM 1759 O PRO A 120 -9.512 8.757 1.775 1.00 0.00 O ATOM 1760 CB PRO A 120 -12.156 7.408 2.558 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.561 7.347 3.990 1.00 0.00 C ATOM 1762 CD PRO A 120 -11.301 7.547 4.782 1.00 0.00 C ATOM 0 HA PRO A 120 -10.693 5.793 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -12.176 8.432 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.833 6.828 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.295 8.119 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.022 6.388 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -11.122 8.601 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -11.341 7.030 5.741 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.569 6.976 0.401 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.759 7.609 -0.638 1.00 0.00 C ATOM 1772 C LEU A 121 -7.317 7.801 -0.174 1.00 0.00 C ATOM 1773 O LEU A 121 -6.721 8.857 -0.388 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.365 8.956 -1.038 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.893 8.981 -1.121 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.381 10.347 -1.576 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.390 7.894 -2.061 1.00 0.00 C ATOM 0 H LEU A 121 -9.866 6.025 0.182 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.752 6.949 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.043 9.710 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.959 9.246 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.297 8.788 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.470 10.345 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -11.053 11.106 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.970 10.571 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.478 7.925 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.978 8.058 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -11.071 6.920 -1.692 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.761 6.773 0.458 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.389 6.826 0.949 1.00 0.00 C ATOM 1791 C LYS A 122 -4.737 5.447 0.894 1.00 0.00 C ATOM 1792 O LYS A 122 -3.605 5.304 0.433 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.359 7.360 2.379 1.00 0.00 C ATOM 1794 CG LYS A 122 -5.326 8.877 2.456 1.00 0.00 C ATOM 1795 CD LYS A 122 -6.687 9.449 2.815 1.00 0.00 C ATOM 1796 CE LYS A 122 -6.605 10.938 3.109 1.00 0.00 C ATOM 1797 NZ LYS A 122 -6.222 11.205 4.524 1.00 0.00 N ATOM 0 H LYS A 122 -7.240 5.892 0.642 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.825 7.500 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.236 6.995 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.484 6.958 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.592 9.188 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.001 9.283 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.383 9.277 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.085 8.927 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.877 11.400 2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.568 11.403 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.177 12.232 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.930 10.786 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.291 10.784 4.717 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.460 4.437 1.365 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.935 3.085 1.360 1.00 0.00 C ATOM 1813 C GLY A 123 -4.851 2.502 -0.037 1.00 0.00 C ATOM 1814 O GLY A 123 -5.867 2.344 -0.714 1.00 0.00 O ATOM 0 H GLY A 123 -6.400 4.531 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.943 3.082 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.569 2.450 1.978 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.637 2.182 -0.471 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.423 1.614 -1.797 1.00 0.00 C ATOM 1820 C ILE A 124 -2.597 0.333 -1.719 1.00 0.00 C ATOM 1821 O ILE A 124 -1.878 0.104 -0.746 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.714 2.619 -2.728 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.596 2.046 -4.143 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.341 2.977 -2.179 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.377 3.101 -5.205 1.00 0.00 C ATOM 0 H ILE A 124 -2.785 2.306 0.077 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.406 1.382 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.312 3.529 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.769 1.336 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.503 1.488 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.855 3.687 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.450 3.425 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.733 2.075 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.303 2.624 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.215 3.798 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.455 3.643 -4.995 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.705 -0.498 -2.751 1.00 0.00 N ATOM 1838 CA PHE A 125 -1.969 -1.755 -2.802 1.00 0.00 C ATOM 1839 C PHE A 125 -1.027 -1.785 -4.001 1.00 0.00 C ATOM 1840 O PHE A 125 -1.462 -1.960 -5.140 1.00 0.00 O ATOM 1841 CB PHE A 125 -2.940 -2.936 -2.872 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.596 -3.252 -1.558 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.744 -2.583 -1.163 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -3.066 -4.219 -0.718 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -5.350 -2.872 0.044 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.668 -4.511 0.491 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.812 -3.837 0.873 1.00 0.00 C ATOM 0 H PHE A 125 -3.296 -0.323 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.374 -1.836 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.711 -2.719 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.403 -3.817 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.169 -1.827 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.173 -4.750 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.244 -2.344 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.244 -5.266 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.284 -4.064 1.817 1.00 0.00 H new ATOM 1857 N THR A 126 0.264 -1.613 -3.739 1.00 0.00 N ATOM 1858 CA THR A 126 1.267 -1.621 -4.798 1.00 0.00 C ATOM 1859 C THR A 126 2.378 -2.619 -4.489 1.00 0.00 C ATOM 1860 O THR A 126 2.543 -3.044 -3.346 1.00 0.00 O ATOM 1861 CB THR A 126 1.858 -0.222 -4.982 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.801 -0.211 -6.039 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.551 0.303 -3.744 1.00 0.00 C ATOM 0 H THR A 126 0.641 -1.466 -2.803 1.00 0.00 H new ATOM 0 HA THR A 126 0.778 -1.925 -5.723 1.00 0.00 H new ATOM 0 HB THR A 126 1.008 0.423 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.927 0.708 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.947 1.299 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.837 0.354 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.369 -0.365 -3.474 1.00 0.00 H new ATOM 1871 N ARG A 127 3.137 -2.990 -5.516 1.00 0.00 N ATOM 1872 CA ARG A 127 4.232 -3.939 -5.353 1.00 0.00 C ATOM 1873 C ARG A 127 5.341 -3.349 -4.482 1.00 0.00 C ATOM 1874 O ARG A 127 5.689 -2.176 -4.621 1.00 0.00 O ATOM 1875 CB ARG A 127 4.798 -4.335 -6.719 1.00 0.00 C ATOM 1876 CG ARG A 127 4.025 -5.455 -7.396 1.00 0.00 C ATOM 1877 CD ARG A 127 3.959 -5.256 -8.903 1.00 0.00 C ATOM 1878 NE ARG A 127 2.669 -5.665 -9.454 1.00 0.00 N ATOM 1879 CZ ARG A 127 2.230 -5.306 -10.658 1.00 0.00 C ATOM 1880 NH1 ARG A 127 2.973 -4.530 -11.439 1.00 0.00 N ATOM 1881 NH2 ARG A 127 1.045 -5.722 -11.083 1.00 0.00 N ATOM 0 H ARG A 127 3.014 -2.648 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 127 3.839 -4.827 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.799 -3.461 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.836 -4.643 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.499 -6.411 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.015 -5.499 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.137 -4.207 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.755 -5.829 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 127 2.070 -6.261 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 127 3.885 -4.206 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.632 -4.258 -12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.470 -6.317 -10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.709 -5.447 -12.006 1.00 0.00 H new ATOM 1895 N PRO A 128 5.915 -4.154 -3.569 1.00 0.00 N ATOM 1896 CA PRO A 128 6.989 -3.694 -2.679 1.00 0.00 C ATOM 1897 C PRO A 128 8.206 -3.196 -3.452 1.00 0.00 C ATOM 1898 O PRO A 128 8.778 -2.156 -3.126 1.00 0.00 O ATOM 1899 CB PRO A 128 7.352 -4.945 -1.869 1.00 0.00 C ATOM 1900 CG PRO A 128 6.165 -5.838 -1.980 1.00 0.00 C ATOM 1901 CD PRO A 128 5.567 -5.565 -3.328 1.00 0.00 C ATOM 0 HA PRO A 128 6.671 -2.852 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.246 -5.426 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.561 -4.694 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.454 -6.885 -1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.447 -5.633 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.984 -6.219 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.488 -5.720 -3.329 1.00 0.00 H new ATOM 1909 N SER A 129 8.597 -3.947 -4.475 1.00 0.00 N ATOM 1910 CA SER A 129 9.749 -3.587 -5.295 1.00 0.00 C ATOM 1911 C SER A 129 9.564 -2.214 -5.937 1.00 0.00 C ATOM 1912 O SER A 129 10.539 -1.543 -6.276 1.00 0.00 O ATOM 1913 CB SER A 129 9.979 -4.641 -6.379 1.00 0.00 C ATOM 1914 OG SER A 129 10.879 -5.642 -5.936 1.00 0.00 O ATOM 0 H SER A 129 8.133 -4.810 -4.757 1.00 0.00 H new ATOM 0 HA SER A 129 10.622 -3.545 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.028 -5.098 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.374 -4.164 -7.276 1.00 0.00 H new ATOM 0 HG SER A 129 11.007 -6.304 -6.647 1.00 0.00 H new ATOM 1920 N LYS A 130 8.313 -1.800 -6.104 1.00 0.00 N ATOM 1921 CA LYS A 130 8.012 -0.507 -6.708 1.00 0.00 C ATOM 1922 C LYS A 130 8.296 0.630 -5.732 1.00 0.00 C ATOM 1923 O LYS A 130 8.647 1.737 -6.139 1.00 0.00 O ATOM 1924 CB LYS A 130 6.550 -0.457 -7.160 1.00 0.00 C ATOM 1925 CG LYS A 130 6.357 -0.783 -8.632 1.00 0.00 C ATOM 1926 CD LYS A 130 6.331 0.477 -9.481 1.00 0.00 C ATOM 1927 CE LYS A 130 6.374 0.149 -10.965 1.00 0.00 C ATOM 1928 NZ LYS A 130 5.509 1.063 -11.761 1.00 0.00 N ATOM 0 H LYS A 130 7.492 -2.340 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 130 8.657 -0.383 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.969 -1.159 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.151 0.538 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 130 7.162 -1.435 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.425 -1.332 -8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.429 1.048 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.180 1.109 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.401 0.219 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.052 -0.881 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 4.714 0.526 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 5.143 1.817 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.066 1.484 -12.532 1.00 0.00 H new ATOM 1942 N LEU A 131 8.143 0.347 -4.443 1.00 0.00 N ATOM 1943 CA LEU A 131 8.385 1.345 -3.408 1.00 0.00 C ATOM 1944 C LEU A 131 9.825 1.845 -3.460 1.00 0.00 C ATOM 1945 O LEU A 131 10.762 1.058 -3.593 1.00 0.00 O ATOM 1946 CB LEU A 131 8.085 0.759 -2.028 1.00 0.00 C ATOM 1947 CG LEU A 131 6.702 0.122 -1.880 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.567 -0.549 -0.522 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.611 1.165 -2.072 1.00 0.00 C ATOM 0 H LEU A 131 7.853 -0.565 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 131 7.721 2.190 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.840 0.008 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.185 1.550 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 131 6.589 -0.639 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.577 -0.997 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.326 -1.325 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.701 0.193 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.634 0.694 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.721 1.949 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.695 1.600 -3.068 1.00 0.00 H new ATOM 1961 N THR A 132 9.995 3.160 -3.354 1.00 0.00 N ATOM 1962 CA THR A 132 11.322 3.764 -3.389 1.00 0.00 C ATOM 1963 C THR A 132 11.532 4.688 -2.193 1.00 0.00 C ATOM 1964 O THR A 132 10.582 5.281 -1.680 1.00 0.00 O ATOM 1965 CB THR A 132 11.517 4.543 -4.691 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.784 5.755 -4.665 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.085 3.771 -5.920 1.00 0.00 C ATOM 0 H THR A 132 9.231 3.826 -3.243 1.00 0.00 H new ATOM 0 HA THR A 132 12.059 2.963 -3.339 1.00 0.00 H new ATOM 0 HB THR A 132 12.589 4.731 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 132 11.246 6.428 -5.207 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.250 4.380 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.667 2.853 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.026 3.524 -5.841 1.00 0.00 H new ATOM 1975 N ARG A 133 12.781 4.805 -1.755 1.00 0.00 N ATOM 1976 CA ARG A 133 13.117 5.658 -0.621 1.00 0.00 C ATOM 1977 C ARG A 133 13.309 7.105 -1.065 1.00 0.00 C ATOM 1978 O ARG A 133 14.238 7.418 -1.808 1.00 0.00 O ATOM 1979 CB ARG A 133 14.385 5.147 0.069 1.00 0.00 C ATOM 1980 CG ARG A 133 14.162 4.712 1.508 1.00 0.00 C ATOM 1981 CD ARG A 133 15.474 4.382 2.200 1.00 0.00 C ATOM 1982 NE ARG A 133 15.264 3.725 3.488 1.00 0.00 N ATOM 1983 CZ ARG A 133 16.206 3.038 4.132 1.00 0.00 C ATOM 1984 NH1 ARG A 133 17.421 2.917 3.612 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.932 2.471 5.299 1.00 0.00 N ATOM 0 H ARG A 133 13.577 4.320 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 133 12.289 5.624 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.783 4.306 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.141 5.932 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.651 5.505 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.509 3.839 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.071 3.736 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 133 16.045 5.298 2.349 1.00 0.00 H new ATOM 0 HE ARG A 133 14.342 3.797 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 133 17.637 3.351 2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 133 18.139 2.390 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.000 2.561 5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.653 1.945 5.792 1.00 0.00 H new ATOM 1999 N LYS A 134 12.422 7.982 -0.605 1.00 0.00 N ATOM 2000 CA LYS A 134 12.493 9.397 -0.955 1.00 0.00 C ATOM 2001 C LYS A 134 12.380 9.589 -2.465 1.00 0.00 C ATOM 2002 O LYS A 134 12.625 8.662 -3.238 1.00 0.00 O ATOM 2003 CB LYS A 134 13.803 10.005 -0.449 1.00 0.00 C ATOM 2004 CG LYS A 134 13.832 10.220 1.055 1.00 0.00 C ATOM 2005 CD LYS A 134 12.942 11.379 1.472 1.00 0.00 C ATOM 2006 CE LYS A 134 13.096 11.698 2.950 1.00 0.00 C ATOM 2007 NZ LYS A 134 14.289 12.548 3.214 1.00 0.00 N ATOM 0 H LYS A 134 11.646 7.738 0.011 1.00 0.00 H new ATOM 0 HA LYS A 134 11.656 9.906 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.629 9.352 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.967 10.960 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.506 9.310 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.856 10.413 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.191 12.260 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.901 11.135 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.201 12.208 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.180 10.770 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.358 12.743 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.146 12.051 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.198 13.445 2.696 1.00 0.00 H new