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 Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -2.18 K(o=-2.2,f=-9.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.039 X(o=0.039,f=0) USER MOD Single : A 87 THR OG1 : rot 47:sc= 0.721 USER MOD Single : A 88 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.7!) USER MOD Single : A 93 GLN : amide:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.069) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 165:sc= 0.136 USER MOD Single : A 117 GLN : amide:sc= -0.396 X(o=-0.4,f=0.00052) USER MOD Single : A 118 CYS SG : rot -135:sc= 0.682 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -151:sc= -0.117 (180deg=-0.668) USER MOD Single : A 132 THR OG1 : rot 150:sc= -0.538 USER MOD Single : A 134 LYS NZ :NH3+ -165:sc=-0.00791 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.248 -4.566 3.645 1.00 0.00 N ATOM 916 CA PHE A 65 9.630 -3.387 4.239 1.00 0.00 C ATOM 917 C PHE A 65 8.944 -3.738 5.555 1.00 0.00 C ATOM 918 O PHE A 65 8.605 -4.896 5.801 1.00 0.00 O ATOM 919 CB PHE A 65 8.616 -2.774 3.270 1.00 0.00 C ATOM 920 CG PHE A 65 9.230 -2.286 1.989 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.756 -1.008 1.900 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.278 -3.106 0.873 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.321 -0.556 0.722 1.00 0.00 C ATOM 924 CE2 PHE A 65 9.842 -2.660 -0.307 1.00 0.00 C ATOM 925 CZ PHE A 65 10.364 -1.384 -0.383 1.00 0.00 C ATOM 0 HA PHE A 65 10.415 -2.659 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.853 -3.517 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.112 -1.942 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.724 -0.357 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.870 -4.105 0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.728 0.443 0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.874 -3.309 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.805 -1.034 -1.305 1.00 0.00 H new ATOM 935 N ARG A 66 8.742 -2.730 6.397 1.00 0.00 N ATOM 936 CA ARG A 66 8.096 -2.931 7.690 1.00 0.00 C ATOM 937 C ARG A 66 6.857 -2.050 7.821 1.00 0.00 C ATOM 938 O ARG A 66 6.630 -1.156 7.006 1.00 0.00 O ATOM 939 CB ARG A 66 9.075 -2.626 8.826 1.00 0.00 C ATOM 940 CG ARG A 66 8.890 -3.516 10.045 1.00 0.00 C ATOM 941 CD ARG A 66 10.010 -4.538 10.166 1.00 0.00 C ATOM 942 NE ARG A 66 9.811 -5.435 11.302 1.00 0.00 N ATOM 943 CZ ARG A 66 10.525 -6.539 11.509 1.00 0.00 C ATOM 944 NH1 ARG A 66 11.484 -6.886 10.660 1.00 0.00 N ATOM 945 NH2 ARG A 66 10.280 -7.298 12.569 1.00 0.00 N ATOM 0 H ARG A 66 9.016 -1.766 6.208 1.00 0.00 H new ATOM 0 HA ARG A 66 7.787 -3.974 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.094 -2.738 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.958 -1.585 9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.859 -2.901 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.932 -4.031 9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.068 -5.123 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.963 -4.020 10.275 1.00 0.00 H new ATOM 0 HE ARG A 66 9.082 -5.201 11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.677 -6.306 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.028 -7.733 10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.545 -7.036 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.827 -8.144 12.728 1.00 0.00 H new ATOM 959 N VAL A 67 6.059 -2.308 8.853 1.00 0.00 N ATOM 960 CA VAL A 67 4.845 -1.538 9.091 1.00 0.00 C ATOM 961 C VAL A 67 5.149 -0.256 9.858 1.00 0.00 C ATOM 962 O VAL A 67 5.524 -0.295 11.030 1.00 0.00 O ATOM 963 CB VAL A 67 3.805 -2.359 9.878 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.481 -1.613 9.953 1.00 0.00 C ATOM 965 CG2 VAL A 67 3.620 -3.730 9.246 1.00 0.00 C ATOM 0 H VAL A 67 6.232 -3.045 9.537 1.00 0.00 H new ATOM 0 HA VAL A 67 4.434 -1.285 8.114 1.00 0.00 H new ATOM 0 HB VAL A 67 4.172 -2.500 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.759 -2.208 10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.630 -0.657 10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.104 -1.439 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.882 -4.296 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.275 -3.613 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.570 -4.264 9.251 1.00 0.00 H new ATOM 975 N GLY A 68 4.988 0.881 9.187 1.00 0.00 N ATOM 976 CA GLY A 68 5.251 2.159 9.822 1.00 0.00 C ATOM 977 C GLY A 68 6.487 2.838 9.265 1.00 0.00 C ATOM 978 O GLY A 68 7.148 3.607 9.963 1.00 0.00 O ATOM 0 H GLY A 68 4.681 0.940 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.389 2.813 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.374 2.010 10.895 1.00 0.00 H new ATOM 982 N GLU A 69 6.800 2.553 8.006 1.00 0.00 N ATOM 983 CA GLU A 69 7.966 3.141 7.355 1.00 0.00 C ATOM 984 C GLU A 69 7.543 4.115 6.260 1.00 0.00 C ATOM 985 O GLU A 69 6.452 4.000 5.701 1.00 0.00 O ATOM 986 CB GLU A 69 8.853 2.044 6.764 1.00 0.00 C ATOM 987 CG GLU A 69 9.288 1.001 7.781 1.00 0.00 C ATOM 988 CD GLU A 69 10.779 0.729 7.740 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.559 1.651 8.060 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.167 -0.404 7.387 1.00 0.00 O ATOM 0 H GLU A 69 6.263 1.918 7.415 1.00 0.00 H new ATOM 0 HA GLU A 69 8.533 3.691 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.315 1.549 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.739 2.502 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.012 1.337 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.748 0.072 7.596 1.00 0.00 H new ATOM 997 N ARG A 70 8.413 5.072 5.959 1.00 0.00 N ATOM 998 CA ARG A 70 8.130 6.067 4.931 1.00 0.00 C ATOM 999 C ARG A 70 8.634 5.601 3.569 1.00 0.00 C ATOM 1000 O ARG A 70 9.839 5.534 3.330 1.00 0.00 O ATOM 1001 CB ARG A 70 8.775 7.405 5.295 1.00 0.00 C ATOM 1002 CG ARG A 70 8.474 8.517 4.302 1.00 0.00 C ATOM 1003 CD ARG A 70 7.595 9.595 4.918 1.00 0.00 C ATOM 1004 NE ARG A 70 8.376 10.745 5.370 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.855 11.947 5.605 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.556 12.161 5.435 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.636 12.938 6.013 1.00 0.00 N ATOM 0 H ARG A 70 9.320 5.180 6.412 1.00 0.00 H new ATOM 0 HA ARG A 70 7.049 6.196 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.429 7.708 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.855 7.272 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.408 8.961 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.978 8.099 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.857 9.923 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.045 9.177 5.761 1.00 0.00 H new ATOM 0 HE ARG A 70 9.378 10.619 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.951 11.402 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.163 13.085 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.635 12.779 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.238 13.860 6.193 1.00 0.00 H new ATOM 1021 N VAL A 71 7.702 5.279 2.677 1.00 0.00 N ATOM 1022 CA VAL A 71 8.051 4.819 1.338 1.00 0.00 C ATOM 1023 C VAL A 71 7.334 5.640 0.272 1.00 0.00 C ATOM 1024 O VAL A 71 6.317 6.278 0.547 1.00 0.00 O ATOM 1025 CB VAL A 71 7.703 3.332 1.145 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.558 2.459 2.051 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.224 3.091 1.402 1.00 0.00 C ATOM 0 H VAL A 71 6.699 5.328 2.858 1.00 0.00 H new ATOM 0 HA VAL A 71 9.128 4.948 1.230 1.00 0.00 H new ATOM 0 HB VAL A 71 7.917 3.061 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.297 1.412 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.611 2.608 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.380 2.730 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.998 2.034 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.980 3.381 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.632 3.685 0.706 1.00 0.00 H new ATOM 1037 N TRP A 72 7.869 5.622 -0.944 1.00 0.00 N ATOM 1038 CA TRP A 72 7.281 6.366 -2.051 1.00 0.00 C ATOM 1039 C TRP A 72 6.681 5.422 -3.087 1.00 0.00 C ATOM 1040 O TRP A 72 7.405 4.720 -3.794 1.00 0.00 O ATOM 1041 CB TRP A 72 8.333 7.260 -2.708 1.00 0.00 C ATOM 1042 CG TRP A 72 8.453 8.607 -2.065 1.00 0.00 C ATOM 1043 CD1 TRP A 72 8.147 9.814 -2.626 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.913 8.887 -0.738 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.389 10.827 -1.728 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.860 10.283 -0.562 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.365 8.092 0.319 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.241 10.899 0.627 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.742 8.704 1.500 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.678 10.096 1.645 1.00 0.00 C ATOM 0 H TRP A 72 8.710 5.099 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 72 6.482 6.990 -1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.300 6.759 -2.669 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.083 7.389 -3.761 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.770 9.953 -3.629 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.242 11.821 -1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.419 7.018 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.193 11.972 0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.091 8.099 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.980 10.545 2.580 1.00 0.00 H new ATOM 1061 N VAL A 73 5.355 5.412 -3.176 1.00 0.00 N ATOM 1062 CA VAL A 73 4.660 4.556 -4.129 1.00 0.00 C ATOM 1063 C VAL A 73 4.954 4.985 -5.563 1.00 0.00 C ATOM 1064 O VAL A 73 4.796 6.154 -5.915 1.00 0.00 O ATOM 1065 CB VAL A 73 3.137 4.579 -3.900 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.451 3.530 -4.762 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.815 4.363 -2.429 1.00 0.00 C ATOM 0 H VAL A 73 4.741 5.987 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 73 5.026 3.542 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 73 2.759 5.559 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.376 3.561 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.653 3.734 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.832 2.542 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.735 4.382 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.206 3.397 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.273 5.154 -1.836 1.00 0.00 H new ATOM 1077 N ASN A 74 5.386 4.034 -6.383 1.00 0.00 N ATOM 1078 CA ASN A 74 5.705 4.317 -7.778 1.00 0.00 C ATOM 1079 C ASN A 74 6.809 5.367 -7.885 1.00 0.00 C ATOM 1080 O ASN A 74 6.943 6.037 -8.909 1.00 0.00 O ATOM 1081 CB ASN A 74 4.454 4.794 -8.520 1.00 0.00 C ATOM 1082 CG ASN A 74 3.882 3.727 -9.433 1.00 0.00 C ATOM 1083 OD1 ASN A 74 2.827 3.157 -9.156 1.00 0.00 O ATOM 1084 ND2 ASN A 74 4.579 3.450 -10.530 1.00 0.00 N ATOM 0 H ASN A 74 5.523 3.062 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 74 6.063 3.396 -8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.697 5.092 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.699 5.679 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.244 2.740 -11.181 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.449 3.947 -10.721 1.00 0.00 H new ATOM 1091 N GLY A 75 7.597 5.504 -6.823 1.00 0.00 N ATOM 1092 CA GLY A 75 8.678 6.472 -6.821 1.00 0.00 C ATOM 1093 C GLY A 75 8.183 7.900 -6.951 1.00 0.00 C ATOM 1094 O GLY A 75 8.839 8.736 -7.573 1.00 0.00 O ATOM 0 H GLY A 75 7.506 4.962 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.249 6.372 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.360 6.252 -7.642 1.00 0.00 H new ATOM 1098 N ASN A 76 7.024 8.182 -6.363 1.00 0.00 N ATOM 1099 CA ASN A 76 6.446 9.520 -6.418 1.00 0.00 C ATOM 1100 C ASN A 76 5.150 9.590 -5.614 1.00 0.00 C ATOM 1101 O ASN A 76 4.143 10.121 -6.085 1.00 0.00 O ATOM 1102 CB ASN A 76 6.184 9.926 -7.870 1.00 0.00 C ATOM 1103 CG ASN A 76 5.172 9.025 -8.550 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.248 7.801 -8.448 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.219 9.628 -9.251 1.00 0.00 N ATOM 0 H ASN A 76 6.468 7.503 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 76 7.161 10.215 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.826 10.955 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.121 9.900 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.511 9.073 -9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.195 10.646 -9.308 1.00 0.00 H new ATOM 1112 N LYS A 77 5.181 9.051 -4.400 1.00 0.00 N ATOM 1113 CA LYS A 77 4.009 9.054 -3.531 1.00 0.00 C ATOM 1114 C LYS A 77 4.370 8.581 -2.125 1.00 0.00 C ATOM 1115 O LYS A 77 4.298 7.389 -1.826 1.00 0.00 O ATOM 1116 CB LYS A 77 2.913 8.161 -4.117 1.00 0.00 C ATOM 1117 CG LYS A 77 1.931 8.906 -5.007 1.00 0.00 C ATOM 1118 CD LYS A 77 0.543 8.291 -4.943 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.259 8.594 -6.198 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.061 7.557 -7.248 1.00 0.00 N ATOM 0 H LYS A 77 6.005 8.606 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 77 3.639 10.077 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.378 7.361 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.365 7.690 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.881 9.951 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.289 8.892 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.628 7.212 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.014 8.674 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.318 8.658 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.034 9.568 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.625 7.801 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.945 7.514 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.365 6.632 -6.884 1.00 0.00 H new ATOM 1134 N PRO A 78 4.762 9.513 -1.238 1.00 0.00 N ATOM 1135 CA PRO A 78 5.133 9.180 0.143 1.00 0.00 C ATOM 1136 C PRO A 78 3.950 8.656 0.950 1.00 0.00 C ATOM 1137 O PRO A 78 2.807 9.053 0.722 1.00 0.00 O ATOM 1138 CB PRO A 78 5.624 10.513 0.717 1.00 0.00 C ATOM 1139 CG PRO A 78 4.985 11.556 -0.133 1.00 0.00 C ATOM 1140 CD PRO A 78 4.874 10.958 -1.507 1.00 0.00 C ATOM 0 HA PRO A 78 5.879 8.386 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.335 10.623 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.711 10.583 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.003 11.828 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.584 12.466 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.003 11.337 -2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.747 11.187 -2.118 1.00 0.00 H new ATOM 1148 N GLY A 79 4.232 7.763 1.891 1.00 0.00 N ATOM 1149 CA GLY A 79 3.181 7.199 2.717 1.00 0.00 C ATOM 1150 C GLY A 79 3.721 6.304 3.814 1.00 0.00 C ATOM 1151 O GLY A 79 4.928 6.261 4.052 1.00 0.00 O ATOM 0 H GLY A 79 5.170 7.419 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.602 8.007 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.498 6.627 2.089 1.00 0.00 H new ATOM 1155 N PHE A 80 2.825 5.585 4.483 1.00 0.00 N ATOM 1156 CA PHE A 80 3.217 4.685 5.562 1.00 0.00 C ATOM 1157 C PHE A 80 2.673 3.281 5.324 1.00 0.00 C ATOM 1158 O PHE A 80 1.462 3.082 5.231 1.00 0.00 O ATOM 1159 CB PHE A 80 2.717 5.218 6.905 1.00 0.00 C ATOM 1160 CG PHE A 80 3.480 6.414 7.400 1.00 0.00 C ATOM 1161 CD1 PHE A 80 3.203 7.680 6.908 1.00 0.00 C ATOM 1162 CD2 PHE A 80 4.473 6.273 8.354 1.00 0.00 C ATOM 1163 CE1 PHE A 80 3.903 8.783 7.361 1.00 0.00 C ATOM 1164 CE2 PHE A 80 5.177 7.371 8.811 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.892 8.627 8.313 1.00 0.00 C ATOM 0 H PHE A 80 1.822 5.608 4.297 1.00 0.00 H new ATOM 0 HA PHE A 80 4.306 4.634 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.664 5.483 6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.781 4.423 7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.432 7.806 6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.700 5.293 8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.677 9.765 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.949 7.247 9.556 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.442 9.487 8.667 1.00 0.00 H new ATOM 1175 N ILE A 81 3.575 2.311 5.227 1.00 0.00 N ATOM 1176 CA ILE A 81 3.186 0.924 5.000 1.00 0.00 C ATOM 1177 C ILE A 81 2.420 0.365 6.195 1.00 0.00 C ATOM 1178 O ILE A 81 2.808 0.571 7.345 1.00 0.00 O ATOM 1179 CB ILE A 81 4.413 0.032 4.729 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.312 0.668 3.665 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.972 -1.359 4.298 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.765 0.761 4.080 1.00 0.00 C ATOM 0 H ILE A 81 4.581 2.460 5.302 1.00 0.00 H new ATOM 0 HA ILE A 81 2.540 0.917 4.122 1.00 0.00 H new ATOM 0 HB ILE A 81 4.987 -0.060 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.241 0.086 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.942 1.668 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.850 -1.977 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.372 -1.811 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.378 -1.286 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.343 1.221 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.848 1.367 4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.151 -0.239 4.278 1.00 0.00 H new ATOM 1194 N GLN A 82 1.329 -0.342 5.914 1.00 0.00 N ATOM 1195 CA GLN A 82 0.508 -0.931 6.965 1.00 0.00 C ATOM 1196 C GLN A 82 0.414 -2.445 6.799 1.00 0.00 C ATOM 1197 O GLN A 82 0.571 -3.195 7.762 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.894 -0.318 6.951 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.893 1.202 6.968 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.441 1.769 8.299 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.106 1.592 9.320 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.694 2.459 8.295 1.00 0.00 N ATOM 0 H GLN A 82 0.994 -0.520 4.967 1.00 0.00 H new ATOM 0 HA GLN A 82 0.982 -0.717 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.424 -0.663 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.450 -0.682 7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.237 1.570 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.896 1.565 6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.213 2.581 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.046 2.867 9.161 1.00 0.00 H new ATOM 1211 N PHE A 83 0.158 -2.885 5.572 1.00 0.00 N ATOM 1212 CA PHE A 83 0.044 -4.310 5.280 1.00 0.00 C ATOM 1213 C PHE A 83 1.230 -4.793 4.452 1.00 0.00 C ATOM 1214 O PHE A 83 1.728 -4.074 3.586 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.263 -4.596 4.537 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.512 -6.058 4.302 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.976 -6.869 5.326 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.282 -6.621 3.057 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.206 -8.214 5.112 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.510 -7.966 2.837 1.00 0.00 C ATOM 1221 CZ PHE A 83 -1.973 -8.764 3.866 1.00 0.00 C ATOM 0 H PHE A 83 0.026 -2.277 4.764 1.00 0.00 H new ATOM 0 HA PHE A 83 0.042 -4.851 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.094 -4.181 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.246 -4.080 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.160 -6.444 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.920 -6.002 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.568 -8.835 5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.327 -8.393 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.152 -9.815 3.697 1.00 0.00 H new ATOM 1231 N LEU A 84 1.676 -6.015 4.723 1.00 0.00 N ATOM 1232 CA LEU A 84 2.804 -6.595 4.002 1.00 0.00 C ATOM 1233 C LEU A 84 2.715 -8.117 3.987 1.00 0.00 C ATOM 1234 O LEU A 84 3.066 -8.779 4.964 1.00 0.00 O ATOM 1235 CB LEU A 84 4.124 -6.155 4.639 1.00 0.00 C ATOM 1236 CG LEU A 84 4.445 -4.665 4.500 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.639 -4.293 5.367 1.00 0.00 C ATOM 1238 CD2 LEU A 84 4.711 -4.312 3.044 1.00 0.00 C ATOM 0 H LEU A 84 1.274 -6.623 5.436 1.00 0.00 H new ATOM 0 HA LEU A 84 2.769 -6.237 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.101 -6.409 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.935 -6.729 4.191 1.00 0.00 H new ATOM 0 HG LEU A 84 3.582 -4.093 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.853 -3.230 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.412 -4.510 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.509 -4.872 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.938 -3.249 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.558 -4.892 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.828 -4.541 2.447 1.00 0.00 H new ATOM 1250 N GLY A 85 2.244 -8.667 2.873 1.00 0.00 N ATOM 1251 CA GLY A 85 2.118 -10.107 2.752 1.00 0.00 C ATOM 1252 C GLY A 85 1.318 -10.519 1.532 1.00 0.00 C ATOM 1253 O GLY A 85 1.272 -9.794 0.538 1.00 0.00 O ATOM 0 H GLY A 85 1.947 -8.141 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.111 -10.552 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.639 -10.503 3.647 1.00 0.00 H new ATOM 1257 N GLU A 86 0.687 -11.686 1.607 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.115 -12.194 0.500 1.00 0.00 C ATOM 1259 C GLU A 86 -1.466 -11.487 0.438 1.00 0.00 C ATOM 1260 O GLU A 86 -1.713 -10.532 1.175 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.320 -13.704 0.642 1.00 0.00 C ATOM 1262 CG GLU A 86 0.589 -14.527 -0.255 1.00 0.00 C ATOM 1263 CD GLU A 86 -0.141 -15.670 -0.935 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -1.338 -15.505 -1.251 1.00 0.00 O ATOM 1265 OE2 GLU A 86 0.484 -16.730 -1.151 1.00 0.00 O ATOM 0 H GLU A 86 0.715 -12.298 2.423 1.00 0.00 H new ATOM 0 HA GLU A 86 0.422 -11.994 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.148 -13.990 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.358 -13.945 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.028 -13.879 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.412 -14.928 0.337 1.00 0.00 H new ATOM 1272 N THR A 87 -2.337 -11.962 -0.447 1.00 0.00 N ATOM 1273 CA THR A 87 -3.663 -11.375 -0.604 1.00 0.00 C ATOM 1274 C THR A 87 -4.701 -12.450 -0.910 1.00 0.00 C ATOM 1275 O THR A 87 -4.372 -13.510 -1.445 1.00 0.00 O ATOM 1276 CB THR A 87 -3.650 -10.330 -1.722 1.00 0.00 C ATOM 1277 OG1 THR A 87 -2.851 -10.765 -2.807 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.124 -8.983 -1.275 1.00 0.00 C ATOM 0 H THR A 87 -2.149 -12.751 -1.066 1.00 0.00 H new ATOM 0 HA THR A 87 -3.933 -10.891 0.335 1.00 0.00 H new ATOM 0 HB THR A 87 -4.692 -10.215 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.073 -11.695 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.142 -8.289 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.751 -8.596 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.101 -9.093 -0.916 1.00 0.00 H new ATOM 1286 N GLN A 88 -5.954 -12.170 -0.567 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.040 -13.114 -0.804 1.00 0.00 C ATOM 1288 C GLN A 88 -7.607 -12.949 -2.210 1.00 0.00 C ATOM 1289 O GLN A 88 -8.075 -13.911 -2.818 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.148 -12.920 0.231 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.657 -12.992 1.668 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.748 -13.403 2.636 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -9.682 -14.117 2.270 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -8.636 -12.953 3.881 1.00 0.00 N ATOM 0 H GLN A 88 -6.242 -11.298 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.638 -14.123 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.623 -11.953 0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.913 -13.681 0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.833 -13.703 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.262 -12.020 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.845 -12.364 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.341 -13.197 4.577 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.563 -11.723 -2.722 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.072 -11.432 -4.057 1.00 0.00 C ATOM 1305 C PHE A 89 -7.020 -11.736 -5.119 1.00 0.00 C ATOM 1306 O PHE A 89 -7.351 -12.123 -6.240 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.504 -9.968 -4.152 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.400 -8.995 -3.848 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.554 -8.551 -4.850 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.212 -8.524 -2.558 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.538 -7.657 -4.572 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -6.198 -7.629 -2.275 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.360 -7.195 -3.283 1.00 0.00 C ATOM 0 H PHE A 89 -7.180 -10.915 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.937 -12.071 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.882 -9.774 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.329 -9.796 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.690 -8.908 -5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.865 -8.860 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.884 -7.320 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.061 -7.269 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.567 -6.496 -3.064 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.753 -11.558 -4.759 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.653 -11.813 -5.681 1.00 0.00 C ATOM 1325 C ALA A 90 -3.741 -12.920 -5.156 1.00 0.00 C ATOM 1326 O ALA A 90 -3.561 -13.065 -3.948 1.00 0.00 O ATOM 1327 CB ALA A 90 -3.858 -10.539 -5.917 1.00 0.00 C ATOM 0 H ALA A 90 -5.463 -11.238 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.075 -12.146 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.040 -10.743 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.510 -9.777 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.453 -10.182 -4.970 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.152 -13.718 -6.063 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.255 -14.814 -5.685 1.00 0.00 C ATOM 1335 C PRO A 91 -0.903 -14.312 -5.189 1.00 0.00 C ATOM 1336 O PRO A 91 -0.385 -14.788 -4.179 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.090 -15.601 -6.985 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.301 -14.595 -8.062 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.312 -13.615 -7.527 1.00 0.00 C ATOM 0 HA PRO A 91 -2.657 -15.405 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.100 -16.052 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.815 -16.412 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.367 -14.093 -8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.664 -15.070 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.117 -12.603 -7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.324 -13.872 -7.839 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.336 -13.350 -5.908 1.00 0.00 N ATOM 1348 CA GLY A 92 0.952 -12.798 -5.528 1.00 0.00 C ATOM 1349 C GLY A 92 0.891 -12.034 -4.220 1.00 0.00 C ATOM 1350 O GLY A 92 -0.069 -12.165 -3.461 1.00 0.00 O ATOM 0 H GLY A 92 -0.745 -12.942 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.679 -13.606 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.307 -12.135 -6.317 1.00 0.00 H new ATOM 1354 N GLN A 93 1.920 -11.236 -3.955 1.00 0.00 N ATOM 1355 CA GLN A 93 1.980 -10.448 -2.730 1.00 0.00 C ATOM 1356 C GLN A 93 1.708 -8.975 -3.016 1.00 0.00 C ATOM 1357 O GLN A 93 1.773 -8.531 -4.162 1.00 0.00 O ATOM 1358 CB GLN A 93 3.348 -10.605 -2.064 1.00 0.00 C ATOM 1359 CG GLN A 93 3.582 -11.987 -1.474 1.00 0.00 C ATOM 1360 CD GLN A 93 4.756 -12.019 -0.514 1.00 0.00 C ATOM 1361 OE1 GLN A 93 5.696 -12.793 -0.691 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.704 -11.177 0.511 1.00 0.00 N ATOM 0 H GLN A 93 2.723 -11.118 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 93 1.209 -10.817 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.126 -10.396 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.446 -9.860 -1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.682 -12.313 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.758 -12.698 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.904 -10.553 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.464 -11.154 1.191 1.00 0.00 H new ATOM 1371 N TRP A 94 1.404 -8.221 -1.964 1.00 0.00 N ATOM 1372 CA TRP A 94 1.122 -6.796 -2.100 1.00 0.00 C ATOM 1373 C TRP A 94 1.600 -6.028 -0.873 1.00 0.00 C ATOM 1374 O TRP A 94 2.111 -6.617 0.080 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.376 -6.568 -2.308 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.874 -7.056 -3.634 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.054 -8.354 -4.016 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.254 -6.251 -4.756 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.523 -8.407 -5.306 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.654 -7.128 -5.782 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.297 -4.874 -4.994 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.091 -6.673 -7.024 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.730 -4.423 -6.227 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.123 -5.320 -7.228 1.00 0.00 C ATOM 0 H TRP A 94 1.347 -8.573 -1.008 1.00 0.00 H new ATOM 0 HA TRP A 94 1.662 -6.426 -2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.926 -7.072 -1.514 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.590 -5.503 -2.218 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.856 -9.215 -3.394 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.738 -9.258 -5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.997 -4.175 -4.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.394 -7.363 -7.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.766 -3.361 -6.421 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.458 -4.936 -8.180 1.00 0.00 H new ATOM 1395 N ALA A 95 1.432 -4.710 -0.902 1.00 0.00 N ATOM 1396 CA ALA A 95 1.846 -3.862 0.209 1.00 0.00 C ATOM 1397 C ALA A 95 0.958 -2.627 0.317 1.00 0.00 C ATOM 1398 O ALA A 95 0.893 -1.815 -0.605 1.00 0.00 O ATOM 1399 CB ALA A 95 3.302 -3.455 0.047 1.00 0.00 C ATOM 0 H ALA A 95 1.012 -4.206 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 95 1.741 -4.435 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.598 -2.822 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.929 -4.346 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.424 -2.904 -0.886 1.00 0.00 H new ATOM 1405 N GLY A 96 0.274 -2.494 1.448 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.601 -1.355 1.656 1.00 0.00 C ATOM 1407 C GLY A 96 0.110 -0.188 2.311 1.00 0.00 C ATOM 1408 O GLY A 96 0.815 -0.361 3.305 1.00 0.00 O ATOM 0 H GLY A 96 0.310 -3.154 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.010 -1.035 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.444 -1.657 2.277 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.076 1.004 1.754 1.00 0.00 N ATOM 1413 CA ILE A 97 0.553 2.205 2.289 1.00 0.00 C ATOM 1414 C ILE A 97 -0.474 3.313 2.502 1.00 0.00 C ATOM 1415 O ILE A 97 -1.411 3.462 1.718 1.00 0.00 O ATOM 1416 CB ILE A 97 1.665 2.723 1.357 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.634 1.592 1.003 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.410 3.880 2.008 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.213 1.708 -0.389 1.00 0.00 C ATOM 0 H ILE A 97 -0.658 1.164 0.932 1.00 0.00 H new ATOM 0 HA ILE A 97 0.994 1.930 3.247 1.00 0.00 H new ATOM 0 HB ILE A 97 1.205 3.085 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.449 1.582 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.115 0.638 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.192 4.233 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.713 4.692 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.860 3.544 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.891 0.874 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.406 1.687 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.760 2.646 -0.478 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.290 4.087 3.567 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.200 5.180 3.882 1.00 0.00 C ATOM 1433 C VAL A 98 -0.649 6.513 3.387 1.00 0.00 C ATOM 1434 O VAL A 98 0.283 7.065 3.971 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.463 5.276 5.398 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.533 6.315 5.692 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.860 3.918 5.959 1.00 0.00 C ATOM 0 H VAL A 98 0.481 3.977 4.226 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.139 4.966 3.372 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.541 5.591 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.704 6.367 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.204 7.289 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.460 6.035 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.042 4.006 7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.767 3.571 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.056 3.203 5.785 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.233 7.025 2.308 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.799 8.294 1.735 1.00 0.00 C ATOM 1449 C LEU A 99 -1.143 9.455 2.663 1.00 0.00 C ATOM 1450 O LEU A 99 -2.061 9.359 3.478 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.452 8.509 0.368 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.375 7.314 -0.582 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.604 7.264 -1.478 1.00 0.00 C ATOM 1454 CD2 LEU A 99 -0.106 7.379 -1.418 1.00 0.00 C ATOM 0 H LEU A 99 -2.007 6.581 1.814 1.00 0.00 H new ATOM 0 HA LEU A 99 0.283 8.258 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.500 8.766 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.980 9.366 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.348 6.402 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.532 6.407 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.499 7.170 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.663 8.180 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.068 6.521 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.103 8.298 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.764 7.365 -0.761 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.402 10.550 2.534 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.629 11.729 3.362 1.00 0.00 C ATOM 1468 C ASP A 100 -1.487 12.757 2.629 1.00 0.00 C ATOM 1469 O ASP A 100 -1.453 13.946 2.946 1.00 0.00 O ATOM 1470 CB ASP A 100 0.704 12.358 3.767 1.00 0.00 C ATOM 1471 CG ASP A 100 0.615 13.111 5.079 1.00 0.00 C ATOM 1472 OD1 ASP A 100 -0.342 13.895 5.249 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.500 12.916 5.938 1.00 0.00 O ATOM 0 H ASP A 100 0.361 10.646 1.864 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.162 11.412 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.460 11.577 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.034 13.039 2.983 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.258 12.293 1.648 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.124 13.175 0.874 1.00 0.00 C ATOM 1480 C GLU A 101 -4.148 12.368 0.076 1.00 0.00 C ATOM 1481 O GLU A 101 -3.820 11.325 -0.489 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.288 14.041 -0.073 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.996 15.430 0.469 1.00 0.00 C ATOM 1484 CD GLU A 101 -1.511 16.384 -0.605 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -1.021 15.905 -1.649 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -1.622 17.613 -0.402 1.00 0.00 O ATOM 0 H GLU A 101 -2.300 11.312 1.372 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.660 13.822 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.345 13.534 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.812 14.134 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.898 15.834 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.243 15.359 1.254 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.407 12.839 0.018 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.473 12.149 -0.717 1.00 0.00 C ATOM 1495 C PRO A 102 -6.113 11.927 -2.183 1.00 0.00 C ATOM 1496 O PRO A 102 -6.454 12.736 -3.046 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.670 13.099 -0.602 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.387 13.928 0.603 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.894 14.074 0.662 1.00 0.00 C ATOM 0 HA PRO A 102 -6.664 11.155 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.770 13.719 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.603 12.547 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.872 14.901 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.768 13.449 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.556 14.964 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.538 14.160 1.689 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.423 10.825 -2.458 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.018 10.497 -3.819 1.00 0.00 C ATOM 1509 C ILE A 103 -4.740 9.006 -3.967 1.00 0.00 C ATOM 1510 O ILE A 103 -3.904 8.596 -4.771 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.761 11.285 -4.239 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.665 11.141 -3.181 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.103 12.750 -4.460 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.267 11.317 -3.732 1.00 0.00 C ATOM 0 H ILE A 103 -5.133 10.144 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.847 10.776 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.390 10.874 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.832 11.876 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.744 10.157 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.205 13.293 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.853 12.834 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.496 13.175 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.541 11.202 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.081 10.565 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.170 12.311 -4.168 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.448 8.196 -3.186 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.265 6.759 -3.246 1.00 0.00 C ATOM 1528 C GLY A 104 -6.267 6.083 -4.162 1.00 0.00 C ATOM 1529 O GLY A 104 -6.986 6.750 -4.905 1.00 0.00 O ATOM 0 H GLY A 104 -6.146 8.511 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.255 6.539 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.356 6.342 -2.243 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.313 4.756 -4.109 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.235 3.990 -4.942 1.00 0.00 C ATOM 1535 C LYS A 105 -7.837 2.827 -4.160 1.00 0.00 C ATOM 1536 O LYS A 105 -8.148 1.780 -4.729 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.516 3.467 -6.187 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.018 4.569 -7.108 1.00 0.00 C ATOM 1539 CD LYS A 105 -4.800 4.123 -7.902 1.00 0.00 C ATOM 1540 CE LYS A 105 -4.123 5.297 -8.591 1.00 0.00 C ATOM 1541 NZ LYS A 105 -3.671 4.949 -9.966 1.00 0.00 N ATOM 0 H LYS A 105 -5.724 4.189 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.044 4.653 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.670 2.853 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.194 2.819 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.814 4.859 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.767 5.451 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.090 3.632 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.100 3.386 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.815 6.138 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.267 5.621 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.215 5.776 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.991 4.163 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.491 4.664 -10.539 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.996 3.017 -2.854 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.561 1.983 -1.995 1.00 0.00 C ATOM 1557 C ASN A 106 -8.894 2.544 -0.617 1.00 0.00 C ATOM 1558 O ASN A 106 -8.863 3.757 -0.405 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.585 0.811 -1.862 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.278 -0.533 -1.964 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.843 -0.875 -3.003 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -8.239 -1.303 -0.883 1.00 0.00 N ATOM 0 H ASN A 106 -7.742 3.877 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.483 1.627 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.825 0.885 -2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.069 0.879 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.689 -2.218 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.759 -0.979 -0.043 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.213 1.656 0.319 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.551 2.062 1.677 1.00 0.00 C ATOM 1571 C ASP A 107 -9.191 0.970 2.679 1.00 0.00 C ATOM 1572 O ASP A 107 -9.871 0.793 3.689 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.042 2.391 1.777 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.485 3.393 0.729 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.744 2.977 -0.420 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -11.575 4.595 1.057 1.00 0.00 O ATOM 0 H ASP A 107 -9.244 0.649 0.161 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.972 2.954 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.622 1.474 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.258 2.788 2.769 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.118 0.241 2.389 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.688 -0.825 3.274 1.00 0.00 C ATOM 1583 C GLY A 108 -8.701 -1.949 3.365 1.00 0.00 C ATOM 1584 O GLY A 108 -8.793 -2.628 4.388 1.00 0.00 O ATOM 0 H GLY A 108 -7.540 0.369 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.738 -1.225 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.512 -0.417 4.270 1.00 0.00 H new ATOM 1588 N SER A 109 -9.464 -2.143 2.294 1.00 0.00 N ATOM 1589 CA SER A 109 -10.477 -3.191 2.258 1.00 0.00 C ATOM 1590 C SER A 109 -10.759 -3.624 0.823 1.00 0.00 C ATOM 1591 O SER A 109 -11.134 -2.809 -0.020 1.00 0.00 O ATOM 1592 CB SER A 109 -11.768 -2.706 2.920 1.00 0.00 C ATOM 1593 OG SER A 109 -11.895 -1.297 2.819 1.00 0.00 O ATOM 0 H SER A 109 -9.400 -1.588 1.440 1.00 0.00 H new ATOM 0 HA SER A 109 -10.095 -4.050 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.625 -3.186 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.775 -3.001 3.969 1.00 0.00 H new ATOM 0 HG SER A 109 -12.729 -1.012 3.248 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.576 -4.912 0.551 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.812 -5.452 -0.782 1.00 0.00 C ATOM 1601 C VAL A 110 -11.683 -6.702 -0.723 1.00 0.00 C ATOM 1602 O VAL A 110 -11.312 -7.701 -0.108 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.487 -5.797 -1.490 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.738 -6.167 -2.944 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.510 -4.635 -1.390 1.00 0.00 C ATOM 0 H VAL A 110 -10.265 -5.601 1.236 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.329 -4.679 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.044 -6.659 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.791 -6.407 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.399 -7.033 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.204 -5.327 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.580 -4.897 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.944 -3.753 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.305 -4.421 -0.341 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.844 -6.639 -1.368 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.768 -7.766 -1.389 1.00 0.00 C ATOM 1617 C ALA A 111 -14.214 -8.135 0.022 1.00 0.00 C ATOM 1618 O ALA A 111 -14.331 -9.314 0.359 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.125 -8.962 -2.072 1.00 0.00 C ATOM 0 H ALA A 111 -13.166 -5.819 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.651 -7.471 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.826 -9.796 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.862 -8.698 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.225 -9.250 -1.529 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.463 -7.121 0.844 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.894 -7.360 2.208 1.00 0.00 C ATOM 1627 C GLY A 112 -13.794 -7.949 3.069 1.00 0.00 C ATOM 1628 O GLY A 112 -14.066 -8.674 4.027 1.00 0.00 O ATOM 0 H GLY A 112 -14.374 -6.137 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.233 -6.422 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.748 -8.037 2.202 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.547 -7.638 2.727 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.401 -8.142 3.475 1.00 0.00 C ATOM 1634 C VAL A 113 -10.546 -6.997 4.004 1.00 0.00 C ATOM 1635 O VAL A 113 -9.939 -6.253 3.232 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.525 -9.064 2.606 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.452 -9.734 3.451 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.382 -10.102 1.896 1.00 0.00 C ATOM 0 H VAL A 113 -12.305 -7.040 1.937 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.796 -8.715 4.314 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.030 -8.456 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.843 -10.381 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.819 -8.972 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.924 -10.329 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.746 -10.744 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.907 -10.707 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.108 -9.599 1.257 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.501 -6.860 5.325 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.719 -5.804 5.958 1.00 0.00 C ATOM 1650 C ARG A 114 -8.266 -6.234 6.135 1.00 0.00 C ATOM 1651 O ARG A 114 -7.982 -7.256 6.758 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.328 -5.435 7.314 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.868 -4.014 7.371 1.00 0.00 C ATOM 1654 CD ARG A 114 -12.259 -3.968 7.984 1.00 0.00 C ATOM 1655 NE ARG A 114 -13.257 -4.605 7.127 1.00 0.00 N ATOM 1656 CZ ARG A 114 -13.809 -4.017 6.068 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.459 -2.783 5.729 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -14.710 -4.666 5.345 1.00 0.00 N ATOM 0 H ARG A 114 -10.997 -7.467 5.978 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.740 -4.929 5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.135 -6.131 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.571 -5.559 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.191 -3.390 7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.899 -3.595 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.244 -4.465 8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.543 -2.931 8.161 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.548 -5.556 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.764 -2.280 6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.885 -2.337 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.980 -5.616 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.133 -4.216 4.533 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.350 -5.446 5.581 1.00 0.00 N ATOM 1673 CA TYR A 115 -5.926 -5.745 5.678 1.00 0.00 C ATOM 1674 C TYR A 115 -5.223 -4.754 6.602 1.00 0.00 C ATOM 1675 O TYR A 115 -4.233 -5.092 7.252 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.280 -5.711 4.291 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.833 -6.749 3.340 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.344 -8.050 3.341 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -6.843 -6.428 2.442 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -5.847 -9.001 2.474 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -7.351 -7.374 1.571 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.849 -8.658 1.591 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.352 -9.602 0.726 1.00 0.00 O ATOM 0 H TYR A 115 -7.568 -4.596 5.061 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.819 -6.745 6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.422 -4.721 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.206 -5.862 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.558 -8.322 4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.238 -5.423 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.457 -10.008 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.137 -7.109 0.879 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.197 -9.281 0.347 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.741 -3.531 6.656 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.163 -2.493 7.501 1.00 0.00 C ATOM 1695 C PHE A 116 -6.080 -1.276 7.574 1.00 0.00 C ATOM 1696 O PHE A 116 -6.500 -0.742 6.548 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.789 -2.081 6.971 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.831 -1.480 5.600 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.861 -2.293 4.479 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.835 -0.106 5.431 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.897 -1.745 3.214 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.869 0.446 4.166 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.900 -0.375 3.058 1.00 0.00 C ATOM 0 H PHE A 116 -6.560 -3.235 6.125 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.050 -2.899 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.343 -1.363 7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.138 -2.955 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.856 -3.367 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.811 0.540 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.923 -2.388 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.871 1.519 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.927 0.055 2.068 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.385 -0.845 8.793 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.251 0.309 9.000 1.00 0.00 C ATOM 1715 C GLN A 117 -6.548 1.598 8.586 1.00 0.00 C ATOM 1716 O GLN A 117 -5.445 1.891 9.048 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.681 0.393 10.467 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.165 0.666 10.651 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.575 2.033 10.139 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.568 3.014 10.882 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.936 2.103 8.864 1.00 0.00 N ATOM 0 H GLN A 117 -6.045 -1.277 9.652 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.137 0.185 8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.428 -0.543 10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.111 1.181 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.739 -0.100 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.416 0.588 11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.927 1.264 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.223 2.996 8.463 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.194 2.366 7.714 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.631 3.623 7.237 1.00 0.00 C ATOM 1732 C CYS A 118 -7.735 4.597 6.837 1.00 0.00 C ATOM 1733 O CYS A 118 -8.920 4.280 6.934 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.700 3.374 6.050 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.475 2.485 4.679 1.00 0.00 S ATOM 0 H CYS A 118 -8.109 2.139 7.323 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.057 4.066 8.051 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.330 4.332 5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.834 2.808 6.393 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.669 1.559 4.251 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.337 5.782 6.386 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.294 6.801 5.970 1.00 0.00 C ATOM 1743 C GLU A 119 -8.624 6.665 4.486 1.00 0.00 C ATOM 1744 O GLU A 119 -7.807 6.184 3.700 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.738 8.198 6.256 1.00 0.00 C ATOM 1746 CG GLU A 119 -8.144 8.748 7.613 1.00 0.00 C ATOM 1747 CD GLU A 119 -7.855 10.230 7.753 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -6.663 10.603 7.771 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -8.820 11.017 7.845 1.00 0.00 O ATOM 0 H GLU A 119 -6.360 6.060 6.299 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.211 6.658 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.650 8.166 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.080 8.882 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.209 8.573 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.615 8.203 8.395 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.834 7.089 4.080 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.271 7.013 2.682 1.00 0.00 C ATOM 1758 C PRO A 120 -9.322 7.743 1.737 1.00 0.00 C ATOM 1759 O PRO A 120 -8.777 8.793 2.078 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.643 7.696 2.693 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.107 7.602 4.105 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.869 7.675 4.950 1.00 0.00 C ATOM 0 HA PRO A 120 -10.297 5.984 2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.570 8.734 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.337 7.199 2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.793 8.414 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.644 6.669 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.629 8.702 5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.981 7.114 5.878 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.131 7.180 0.548 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.250 7.778 -0.449 1.00 0.00 C ATOM 1772 C LEU A 121 -6.827 7.907 0.087 1.00 0.00 C ATOM 1773 O LEU A 121 -6.096 8.827 -0.281 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.776 9.152 -0.868 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.294 9.243 -1.028 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.717 10.678 -1.298 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.768 8.326 -2.146 1.00 0.00 C ATOM 0 H LEU A 121 -9.574 6.311 0.252 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.232 7.123 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.459 9.887 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.309 9.430 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.759 8.918 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.800 10.723 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.411 11.310 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.243 11.031 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.851 8.404 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.295 8.620 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.498 7.296 -1.911 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.441 6.981 0.958 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.106 6.992 1.543 1.00 0.00 C ATOM 1791 C LYS A 122 -4.441 5.625 1.409 1.00 0.00 C ATOM 1792 O LYS A 122 -3.274 5.527 1.031 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.176 7.396 3.018 1.00 0.00 C ATOM 1794 CG LYS A 122 -6.010 8.642 3.267 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.281 9.636 4.157 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.559 11.070 3.735 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.467 12.014 4.883 1.00 0.00 N ATOM 0 H LYS A 122 -7.034 6.214 1.274 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.505 7.722 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.592 6.569 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.165 7.565 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.252 9.115 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.955 8.361 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.590 9.494 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.209 9.445 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.848 11.366 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.553 11.132 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.663 12.981 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.163 11.747 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.511 11.974 5.290 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.194 4.575 1.720 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.660 3.228 1.625 1.00 0.00 C ATOM 1813 C GLY A 123 -4.711 2.682 0.213 1.00 0.00 C ATOM 1814 O GLY A 123 -5.779 2.616 -0.397 1.00 0.00 O ATOM 0 H GLY A 123 -6.162 4.632 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.628 3.224 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.224 2.570 2.286 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.555 2.291 -0.311 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.472 1.749 -1.662 1.00 0.00 C ATOM 1820 C ILE A 124 -2.626 0.479 -1.695 1.00 0.00 C ATOM 1821 O ILE A 124 -1.666 0.342 -0.937 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.879 2.780 -2.645 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.900 2.232 -4.073 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.462 3.153 -2.235 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.414 3.223 -5.108 1.00 0.00 C ATOM 0 H ILE A 124 -2.662 2.339 0.179 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.489 1.509 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.493 3.680 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.279 1.337 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.917 1.928 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.059 3.881 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.475 3.585 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.836 2.261 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.456 2.766 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.049 4.109 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.386 3.509 -4.884 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.990 -0.447 -2.577 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.263 -1.704 -2.708 1.00 0.00 C ATOM 1839 C PHE A 125 -1.334 -1.673 -3.916 1.00 0.00 C ATOM 1840 O PHE A 125 -1.759 -1.369 -5.031 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.243 -2.872 -2.832 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.736 -3.386 -1.510 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.934 -4.199 -0.725 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -5.002 -3.055 -1.051 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.385 -4.673 0.492 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.458 -3.526 0.165 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.649 -4.336 0.938 1.00 0.00 C ATOM 0 H PHE A 125 -3.783 -0.350 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.657 -1.840 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.097 -2.557 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.759 -3.686 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.945 -4.465 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.639 -2.422 -1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.750 -5.306 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.446 -3.261 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.004 -4.705 1.889 1.00 0.00 H new ATOM 1857 N THR A 126 -0.064 -1.990 -3.686 1.00 0.00 N ATOM 1858 CA THR A 126 0.927 -1.998 -4.756 1.00 0.00 C ATOM 1859 C THR A 126 2.076 -2.945 -4.425 1.00 0.00 C ATOM 1860 O THR A 126 2.272 -3.319 -3.268 1.00 0.00 O ATOM 1861 CB THR A 126 1.467 -0.587 -4.991 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.388 -0.574 -6.067 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.165 -0.004 -3.781 1.00 0.00 C ATOM 0 H THR A 126 0.303 -2.245 -2.769 1.00 0.00 H new ATOM 0 HA THR A 126 0.440 -2.349 -5.666 1.00 0.00 H new ATOM 0 HB THR A 126 0.592 0.023 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.720 0.338 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.524 0.998 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.465 0.047 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.009 -0.637 -3.508 1.00 0.00 H new ATOM 1871 N ARG A 127 2.832 -3.331 -5.447 1.00 0.00 N ATOM 1872 CA ARG A 127 3.962 -4.236 -5.264 1.00 0.00 C ATOM 1873 C ARG A 127 5.080 -3.557 -4.473 1.00 0.00 C ATOM 1874 O ARG A 127 5.443 -2.416 -4.757 1.00 0.00 O ATOM 1875 CB ARG A 127 4.493 -4.702 -6.620 1.00 0.00 C ATOM 1876 CG ARG A 127 3.399 -5.113 -7.595 1.00 0.00 C ATOM 1877 CD ARG A 127 3.356 -4.201 -8.813 1.00 0.00 C ATOM 1878 NE ARG A 127 3.345 -4.958 -10.062 1.00 0.00 N ATOM 1879 CZ ARG A 127 2.260 -5.543 -10.565 1.00 0.00 C ATOM 1880 NH1 ARG A 127 1.098 -5.463 -9.928 1.00 0.00 N ATOM 1881 NH2 ARG A 127 2.337 -6.211 -11.708 1.00 0.00 N ATOM 0 H ARG A 127 2.683 -3.032 -6.411 1.00 0.00 H new ATOM 0 HA ARG A 127 3.615 -5.102 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.082 -3.900 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.167 -5.545 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.566 -6.141 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.434 -5.090 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.468 -3.571 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.220 -3.536 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 127 4.220 -5.043 -10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.033 -4.951 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.270 -5.913 -10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.227 -6.276 -12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.506 -6.659 -12.094 1.00 0.00 H new ATOM 1895 N PRO A 128 5.644 -4.249 -3.465 1.00 0.00 N ATOM 1896 CA PRO A 128 6.726 -3.696 -2.641 1.00 0.00 C ATOM 1897 C PRO A 128 7.924 -3.262 -3.477 1.00 0.00 C ATOM 1898 O PRO A 128 8.582 -2.268 -3.169 1.00 0.00 O ATOM 1899 CB PRO A 128 7.114 -4.858 -1.721 1.00 0.00 C ATOM 1900 CG PRO A 128 5.920 -5.749 -1.700 1.00 0.00 C ATOM 1901 CD PRO A 128 5.279 -5.616 -3.051 1.00 0.00 C ATOM 0 HA PRO A 128 6.408 -2.802 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 128 7.992 -5.383 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.360 -4.504 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.208 -6.782 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.229 -5.456 -0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.656 -6.362 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.198 -5.745 -2.998 1.00 0.00 H new ATOM 1909 N SER A 129 8.204 -4.017 -4.534 1.00 0.00 N ATOM 1910 CA SER A 129 9.327 -3.714 -5.416 1.00 0.00 C ATOM 1911 C SER A 129 9.183 -2.326 -6.033 1.00 0.00 C ATOM 1912 O SER A 129 10.177 -1.685 -6.376 1.00 0.00 O ATOM 1913 CB SER A 129 9.430 -4.768 -6.521 1.00 0.00 C ATOM 1914 OG SER A 129 10.782 -5.075 -6.807 1.00 0.00 O ATOM 0 H SER A 129 7.669 -4.843 -4.801 1.00 0.00 H new ATOM 0 HA SER A 129 10.238 -3.729 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.905 -5.673 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.938 -4.404 -7.423 1.00 0.00 H new ATOM 0 HG SER A 129 10.821 -5.752 -7.515 1.00 0.00 H new ATOM 1920 N LYS A 130 7.943 -1.866 -6.173 1.00 0.00 N ATOM 1921 CA LYS A 130 7.676 -0.554 -6.750 1.00 0.00 C ATOM 1922 C LYS A 130 8.020 0.555 -5.762 1.00 0.00 C ATOM 1923 O LYS A 130 8.381 1.663 -6.159 1.00 0.00 O ATOM 1924 CB LYS A 130 6.208 -0.446 -7.167 1.00 0.00 C ATOM 1925 CG LYS A 130 5.919 -1.043 -8.535 1.00 0.00 C ATOM 1926 CD LYS A 130 5.249 -0.035 -9.456 1.00 0.00 C ATOM 1927 CE LYS A 130 5.770 -0.151 -10.880 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.229 0.136 -10.964 1.00 0.00 N ATOM 0 H LYS A 130 7.109 -2.382 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 130 8.306 -0.437 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.590 -0.948 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.916 0.604 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.850 -1.387 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.277 -1.917 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.171 -0.193 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.426 0.974 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 130 5.576 -1.155 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.226 0.541 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.453 0.526 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.490 0.826 -10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.765 -0.743 -10.818 1.00 0.00 H new ATOM 1942 N LEU A 131 7.906 0.250 -4.474 1.00 0.00 N ATOM 1943 CA LEU A 131 8.204 1.222 -3.429 1.00 0.00 C ATOM 1944 C LEU A 131 9.664 1.661 -3.495 1.00 0.00 C ATOM 1945 O LEU A 131 10.527 0.914 -3.958 1.00 0.00 O ATOM 1946 CB LEU A 131 7.900 0.629 -2.052 1.00 0.00 C ATOM 1947 CG LEU A 131 6.546 -0.075 -1.935 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.307 -0.535 -0.506 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.426 0.846 -2.395 1.00 0.00 C ATOM 0 H LEU A 131 7.609 -0.663 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 131 7.573 2.096 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.686 -0.083 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.942 1.428 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 131 6.556 -0.953 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.340 -1.033 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.094 -1.229 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.316 0.328 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.470 0.330 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.414 1.742 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.590 1.127 -3.435 1.00 0.00 H new ATOM 1961 N THR A 132 9.932 2.878 -3.031 1.00 0.00 N ATOM 1962 CA THR A 132 11.288 3.416 -3.039 1.00 0.00 C ATOM 1963 C THR A 132 11.489 4.398 -1.889 1.00 0.00 C ATOM 1964 O THR A 132 10.526 4.886 -1.300 1.00 0.00 O ATOM 1965 CB THR A 132 11.576 4.108 -4.372 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.756 5.252 -4.531 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.353 3.213 -5.571 1.00 0.00 C ATOM 0 H THR A 132 9.229 3.509 -2.645 1.00 0.00 H new ATOM 0 HA THR A 132 11.983 2.586 -2.911 1.00 0.00 H new ATOM 0 HB THR A 132 12.631 4.381 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 132 11.227 5.919 -5.073 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.575 3.766 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.008 2.345 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.314 2.883 -5.590 1.00 0.00 H new ATOM 1975 N ARG A 133 12.750 4.685 -1.577 1.00 0.00 N ATOM 1976 CA ARG A 133 13.077 5.610 -0.498 1.00 0.00 C ATOM 1977 C ARG A 133 13.284 7.022 -1.037 1.00 0.00 C ATOM 1978 O ARG A 133 14.144 7.254 -1.887 1.00 0.00 O ATOM 1979 CB ARG A 133 14.334 5.142 0.241 1.00 0.00 C ATOM 1980 CG ARG A 133 14.039 4.434 1.554 1.00 0.00 C ATOM 1981 CD ARG A 133 14.819 5.047 2.707 1.00 0.00 C ATOM 1982 NE ARG A 133 14.249 4.689 4.004 1.00 0.00 N ATOM 1983 CZ ARG A 133 14.832 4.962 5.171 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.997 5.594 5.206 1.00 0.00 N ATOM 1985 NH2 ARG A 133 14.246 4.599 6.303 1.00 0.00 N ATOM 0 H ARG A 133 13.560 4.291 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 133 12.240 5.626 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.897 4.470 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.972 6.004 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.971 4.489 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.292 3.378 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.856 4.713 2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 133 14.829 6.132 2.602 1.00 0.00 H new ATOM 0 HE ARG A 133 13.353 4.202 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.452 5.874 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.439 5.800 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.350 4.112 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.691 4.807 7.197 1.00 0.00 H new ATOM 1999 N LYS A 134 12.489 7.963 -0.538 1.00 0.00 N ATOM 2000 CA LYS A 134 12.584 9.354 -0.969 1.00 0.00 C ATOM 2001 C LYS A 134 12.372 9.473 -2.475 1.00 0.00 C ATOM 2002 O LYS A 134 12.319 8.470 -3.187 1.00 0.00 O ATOM 2003 CB LYS A 134 13.945 9.938 -0.582 1.00 0.00 C ATOM 2004 CG LYS A 134 13.891 10.848 0.635 1.00 0.00 C ATOM 2005 CD LYS A 134 13.477 10.086 1.883 1.00 0.00 C ATOM 2006 CE LYS A 134 13.727 10.901 3.142 1.00 0.00 C ATOM 2007 NZ LYS A 134 15.179 11.024 3.446 1.00 0.00 N ATOM 0 H LYS A 134 11.771 7.788 0.165 1.00 0.00 H new ATOM 0 HA LYS A 134 11.799 9.919 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.639 9.121 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.345 10.498 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.868 11.304 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.187 11.660 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.420 9.828 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.031 9.149 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.296 11.895 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 134 13.218 10.432 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.302 11.357 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.637 10.097 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.614 11.705 2.791 1.00 0.00 H new