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 88 GLN : amide:sc= -0.873 K(o=-0.47,f=-6.1!) USER MOD Set 1.2: A 115 TYR OH : rot 66:sc= 0.406 USER MOD Single : A 74 ASN : amide:sc= -1 K(o=-1,f=-2!) USER MOD Single : A 76 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= -1.66 (180deg=-1.7) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 87 THR OG1 : rot 47:sc= 1.24 USER MOD Single : A 93 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.025) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.74) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0864 USER MOD Single : A 117 GLN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 118 CYS SG : rot -136:sc= 0.235 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 129 SER OG : rot -160:sc= 0.261 USER MOD Single : A 130 LYS NZ :NH3+ 162:sc= -0.0262 (180deg=-0.223) USER MOD Single : A 132 THR OG1 : rot 100:sc= -1.04 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.398 -5.586 2.515 1.00 0.00 N ATOM 916 CA PHE A 65 10.052 -4.342 3.192 1.00 0.00 C ATOM 917 C PHE A 65 9.591 -4.611 4.622 1.00 0.00 C ATOM 918 O PHE A 65 9.575 -5.755 5.073 1.00 0.00 O ATOM 919 CB PHE A 65 8.955 -3.605 2.421 1.00 0.00 C ATOM 920 CG PHE A 65 9.462 -2.871 1.210 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.628 -3.530 0.004 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.772 -1.522 1.282 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.093 -2.859 -1.111 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.238 -0.845 0.171 1.00 0.00 C ATOM 925 CZ PHE A 65 10.399 -1.514 -1.027 1.00 0.00 C ATOM 0 HA PHE A 65 10.944 -3.717 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.196 -4.323 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.467 -2.895 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.391 -4.581 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.648 -0.994 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.217 -3.385 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.476 0.206 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.763 -0.987 -1.896 1.00 0.00 H new ATOM 935 N ARG A 66 9.217 -3.549 5.328 1.00 0.00 N ATOM 936 CA ARG A 66 8.756 -3.671 6.706 1.00 0.00 C ATOM 937 C ARG A 66 7.478 -2.869 6.925 1.00 0.00 C ATOM 938 O ARG A 66 7.066 -2.092 6.063 1.00 0.00 O ATOM 939 CB ARG A 66 9.843 -3.199 7.674 1.00 0.00 C ATOM 940 CG ARG A 66 9.980 -4.074 8.910 1.00 0.00 C ATOM 941 CD ARG A 66 10.501 -3.283 10.101 1.00 0.00 C ATOM 942 NE ARG A 66 9.627 -3.407 11.264 1.00 0.00 N ATOM 943 CZ ARG A 66 9.776 -2.701 12.382 1.00 0.00 C ATOM 944 NH1 ARG A 66 10.763 -1.821 12.493 1.00 0.00 N ATOM 945 NH2 ARG A 66 8.935 -2.874 13.393 1.00 0.00 N ATOM 0 H ARG A 66 9.224 -2.594 4.969 1.00 0.00 H new ATOM 0 HA ARG A 66 8.540 -4.722 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.798 -3.173 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.622 -2.178 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.012 -4.510 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.657 -4.901 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.500 -3.633 10.360 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.592 -2.232 9.826 1.00 0.00 H new ATOM 0 HE ARG A 66 8.857 -4.074 11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.413 -1.683 11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.872 -1.283 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.174 -3.548 13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.049 -2.333 14.250 1.00 0.00 H new ATOM 959 N VAL A 67 6.855 -3.060 8.083 1.00 0.00 N ATOM 960 CA VAL A 67 5.624 -2.353 8.415 1.00 0.00 C ATOM 961 C VAL A 67 5.913 -1.115 9.258 1.00 0.00 C ATOM 962 O VAL A 67 6.534 -1.206 10.318 1.00 0.00 O ATOM 963 CB VAL A 67 4.641 -3.260 9.176 1.00 0.00 C ATOM 964 CG1 VAL A 67 3.293 -2.574 9.336 1.00 0.00 C ATOM 965 CG2 VAL A 67 4.486 -4.595 8.464 1.00 0.00 C ATOM 0 H VAL A 67 7.183 -3.699 8.808 1.00 0.00 H new ATOM 0 HA VAL A 67 5.169 -2.051 7.472 1.00 0.00 H new ATOM 0 HB VAL A 67 5.046 -3.449 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.612 -3.231 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.421 -1.646 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.879 -2.352 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.787 -5.223 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.105 -4.428 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.454 -5.092 8.408 1.00 0.00 H new ATOM 975 N GLY A 68 5.461 0.039 8.781 1.00 0.00 N ATOM 976 CA GLY A 68 5.682 1.278 9.504 1.00 0.00 C ATOM 977 C GLY A 68 6.890 2.038 8.993 1.00 0.00 C ATOM 978 O GLY A 68 7.603 2.677 9.766 1.00 0.00 O ATOM 0 H GLY A 68 4.945 0.139 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.797 1.908 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.816 1.058 10.563 1.00 0.00 H new ATOM 982 N GLU A 69 7.119 1.968 7.685 1.00 0.00 N ATOM 983 CA GLU A 69 8.250 2.654 7.069 1.00 0.00 C ATOM 984 C GLU A 69 7.777 3.607 5.976 1.00 0.00 C ATOM 985 O GLU A 69 6.867 3.288 5.210 1.00 0.00 O ATOM 986 CB GLU A 69 9.232 1.638 6.485 1.00 0.00 C ATOM 987 CG GLU A 69 9.592 0.517 7.448 1.00 0.00 C ATOM 988 CD GLU A 69 11.078 0.218 7.467 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.611 -0.211 6.422 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.710 0.414 8.527 1.00 0.00 O ATOM 0 H GLU A 69 6.537 1.444 7.032 1.00 0.00 H new ATOM 0 HA GLU A 69 8.755 3.235 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.801 1.206 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.143 2.156 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.267 0.788 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.047 -0.385 7.169 1.00 0.00 H new ATOM 997 N ARG A 70 8.400 4.779 5.910 1.00 0.00 N ATOM 998 CA ARG A 70 8.043 5.779 4.911 1.00 0.00 C ATOM 999 C ARG A 70 8.469 5.333 3.516 1.00 0.00 C ATOM 1000 O ARG A 70 9.660 5.265 3.213 1.00 0.00 O ATOM 1001 CB ARG A 70 8.691 7.124 5.249 1.00 0.00 C ATOM 1002 CG ARG A 70 7.984 8.314 4.623 1.00 0.00 C ATOM 1003 CD ARG A 70 6.678 8.624 5.335 1.00 0.00 C ATOM 1004 NE ARG A 70 6.388 10.056 5.347 1.00 0.00 N ATOM 1005 CZ ARG A 70 5.178 10.566 5.566 1.00 0.00 C ATOM 1006 NH1 ARG A 70 4.144 9.765 5.792 1.00 0.00 N ATOM 1007 NH2 ARG A 70 5.001 11.879 5.560 1.00 0.00 N ATOM 0 H ARG A 70 9.154 5.059 6.537 1.00 0.00 H new ATOM 0 HA ARG A 70 6.959 5.893 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.705 7.249 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.729 7.112 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.636 9.187 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.786 8.109 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.862 8.093 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.727 8.255 6.360 1.00 0.00 H new ATOM 0 HE ARG A 70 7.158 10.703 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.274 8.753 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.219 10.161 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.792 12.499 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.074 12.269 5.728 1.00 0.00 H new ATOM 1021 N VAL A 71 7.488 5.029 2.672 1.00 0.00 N ATOM 1022 CA VAL A 71 7.761 4.589 1.309 1.00 0.00 C ATOM 1023 C VAL A 71 7.150 5.546 0.290 1.00 0.00 C ATOM 1024 O VAL A 71 6.169 6.231 0.580 1.00 0.00 O ATOM 1025 CB VAL A 71 7.216 3.171 1.056 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.077 2.133 1.759 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.767 3.068 1.508 1.00 0.00 C ATOM 0 H VAL A 71 6.497 5.079 2.908 1.00 0.00 H new ATOM 0 HA VAL A 71 8.845 4.579 1.191 1.00 0.00 H new ATOM 0 HB VAL A 71 7.254 2.973 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.676 1.138 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.098 2.191 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.075 2.325 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.399 2.059 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.702 3.287 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.161 3.784 0.953 1.00 0.00 H new ATOM 1037 N TRP A 72 7.735 5.587 -0.902 1.00 0.00 N ATOM 1038 CA TRP A 72 7.248 6.460 -1.963 1.00 0.00 C ATOM 1039 C TRP A 72 6.693 5.647 -3.129 1.00 0.00 C ATOM 1040 O TRP A 72 7.438 4.959 -3.827 1.00 0.00 O ATOM 1041 CB TRP A 72 8.371 7.375 -2.456 1.00 0.00 C ATOM 1042 CG TRP A 72 8.497 8.640 -1.664 1.00 0.00 C ATOM 1043 CD1 TRP A 72 8.246 9.909 -2.099 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.907 8.758 -0.297 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.474 10.809 -1.086 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.881 10.127 0.030 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.293 7.838 0.683 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 9.227 10.596 1.295 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.636 8.307 1.938 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.601 9.674 2.234 1.00 0.00 C ATOM 0 H TRP A 72 8.547 5.026 -1.158 1.00 0.00 H new ATOM 0 HA TRP A 72 6.443 7.070 -1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.316 6.833 -2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.193 7.626 -3.502 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.916 10.168 -3.094 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.359 11.820 -1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.323 6.781 0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.201 11.651 1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.936 7.606 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.875 10.008 3.224 1.00 0.00 H new ATOM 1061 N VAL A 73 5.382 5.732 -3.333 1.00 0.00 N ATOM 1062 CA VAL A 73 4.730 5.006 -4.415 1.00 0.00 C ATOM 1063 C VAL A 73 5.153 5.553 -5.774 1.00 0.00 C ATOM 1064 O VAL A 73 4.985 6.739 -6.056 1.00 0.00 O ATOM 1065 CB VAL A 73 3.196 5.080 -4.299 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.537 4.161 -5.316 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.751 4.732 -2.887 1.00 0.00 C ATOM 0 H VAL A 73 4.752 6.296 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 73 5.042 3.965 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 73 2.883 6.102 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.453 4.227 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.830 4.462 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.855 3.134 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.664 4.789 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.076 3.721 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.193 5.436 -2.182 1.00 0.00 H new ATOM 1077 N ASN A 74 5.706 4.682 -6.612 1.00 0.00 N ATOM 1078 CA ASN A 74 6.155 5.080 -7.941 1.00 0.00 C ATOM 1079 C ASN A 74 7.236 6.156 -7.854 1.00 0.00 C ATOM 1080 O ASN A 74 7.461 6.899 -8.809 1.00 0.00 O ATOM 1081 CB ASN A 74 4.973 5.590 -8.769 1.00 0.00 C ATOM 1082 CG ASN A 74 4.604 4.642 -9.894 1.00 0.00 C ATOM 1083 OD1 ASN A 74 4.037 3.574 -9.661 1.00 0.00 O ATOM 1084 ND2 ASN A 74 4.923 5.029 -11.123 1.00 0.00 N ATOM 0 H ASN A 74 5.854 3.697 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 74 6.582 4.204 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.110 5.730 -8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.219 6.566 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.699 4.433 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.393 5.922 -11.271 1.00 0.00 H new ATOM 1091 N GLY A 75 7.902 6.232 -6.705 1.00 0.00 N ATOM 1092 CA GLY A 75 8.950 7.219 -6.521 1.00 0.00 C ATOM 1093 C GLY A 75 8.430 8.642 -6.584 1.00 0.00 C ATOM 1094 O GLY A 75 9.081 9.521 -7.148 1.00 0.00 O ATOM 0 H GLY A 75 7.735 5.629 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.433 7.055 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.713 7.081 -7.287 1.00 0.00 H new ATOM 1098 N ASN A 76 7.255 8.870 -6.004 1.00 0.00 N ATOM 1099 CA ASN A 76 6.653 10.199 -5.999 1.00 0.00 C ATOM 1100 C ASN A 76 5.335 10.200 -5.229 1.00 0.00 C ATOM 1101 O ASN A 76 4.363 10.831 -5.645 1.00 0.00 O ATOM 1102 CB ASN A 76 6.421 10.683 -7.433 1.00 0.00 C ATOM 1103 CG ASN A 76 5.514 9.756 -8.218 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.982 8.886 -8.951 1.00 0.00 O ATOM 1105 ND2 ASN A 76 4.207 9.940 -8.069 1.00 0.00 N ATOM 0 H ASN A 76 6.702 8.154 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 76 7.343 10.880 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.983 11.681 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.380 10.767 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.548 9.347 -8.573 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.863 10.674 -7.450 1.00 0.00 H new ATOM 1112 N LYS A 77 5.310 9.493 -4.104 1.00 0.00 N ATOM 1113 CA LYS A 77 4.111 9.418 -3.277 1.00 0.00 C ATOM 1114 C LYS A 77 4.424 8.805 -1.913 1.00 0.00 C ATOM 1115 O LYS A 77 4.291 7.596 -1.722 1.00 0.00 O ATOM 1116 CB LYS A 77 3.029 8.598 -3.986 1.00 0.00 C ATOM 1117 CG LYS A 77 1.819 9.419 -4.399 1.00 0.00 C ATOM 1118 CD LYS A 77 0.894 9.681 -3.221 1.00 0.00 C ATOM 1119 CE LYS A 77 1.068 11.090 -2.676 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.193 11.341 -1.498 1.00 0.00 N ATOM 0 H LYS A 77 6.105 8.965 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 77 3.744 10.432 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.460 8.131 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.704 7.793 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.149 10.368 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.272 8.894 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.141 9.535 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.095 8.957 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.110 11.244 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.839 11.813 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.316 12.323 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.800 11.186 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.451 10.690 -0.729 1.00 0.00 H new ATOM 1134 N PRO A 78 4.845 9.636 -0.942 1.00 0.00 N ATOM 1135 CA PRO A 78 5.175 9.168 0.409 1.00 0.00 C ATOM 1136 C PRO A 78 3.974 8.546 1.115 1.00 0.00 C ATOM 1137 O PRO A 78 2.831 8.933 0.875 1.00 0.00 O ATOM 1138 CB PRO A 78 5.624 10.440 1.138 1.00 0.00 C ATOM 1139 CG PRO A 78 5.058 11.565 0.343 1.00 0.00 C ATOM 1140 CD PRO A 78 5.029 11.090 -1.080 1.00 0.00 C ATOM 0 HA PRO A 78 5.934 8.386 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.255 10.457 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.711 10.502 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.057 11.823 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.671 12.461 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.215 11.548 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.953 11.332 -1.605 1.00 0.00 H new ATOM 1148 N GLY A 79 4.244 7.580 1.987 1.00 0.00 N ATOM 1149 CA GLY A 79 3.177 6.919 2.716 1.00 0.00 C ATOM 1150 C GLY A 79 3.697 6.060 3.851 1.00 0.00 C ATOM 1151 O GLY A 79 4.851 6.192 4.260 1.00 0.00 O ATOM 0 H GLY A 79 5.182 7.243 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.495 7.669 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.602 6.299 2.029 1.00 0.00 H new ATOM 1155 N PHE A 80 2.845 5.177 4.361 1.00 0.00 N ATOM 1156 CA PHE A 80 3.224 4.292 5.456 1.00 0.00 C ATOM 1157 C PHE A 80 2.726 2.872 5.208 1.00 0.00 C ATOM 1158 O PHE A 80 1.541 2.656 4.954 1.00 0.00 O ATOM 1159 CB PHE A 80 2.666 4.817 6.780 1.00 0.00 C ATOM 1160 CG PHE A 80 3.478 5.933 7.373 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.811 5.741 7.698 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.907 7.174 7.605 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.560 6.767 8.244 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.651 8.204 8.151 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.979 7.999 8.470 1.00 0.00 C ATOM 0 H PHE A 80 1.887 5.055 4.033 1.00 0.00 H new ATOM 0 HA PHE A 80 4.312 4.270 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.645 5.165 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.616 3.996 7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.270 4.779 7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.869 7.339 7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.598 6.605 8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.194 9.167 8.328 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.563 8.802 8.896 1.00 0.00 H new ATOM 1175 N ILE A 81 3.638 1.908 5.283 1.00 0.00 N ATOM 1176 CA ILE A 81 3.290 0.509 5.067 1.00 0.00 C ATOM 1177 C ILE A 81 2.558 -0.067 6.274 1.00 0.00 C ATOM 1178 O ILE A 81 3.128 -0.188 7.359 1.00 0.00 O ATOM 1179 CB ILE A 81 4.541 -0.345 4.784 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.395 0.309 3.696 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.141 -1.754 4.375 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.814 -0.217 3.643 1.00 0.00 C ATOM 0 H ILE A 81 4.623 2.070 5.492 1.00 0.00 H new ATOM 0 HA ILE A 81 2.634 0.477 4.197 1.00 0.00 H new ATOM 0 HB ILE A 81 5.133 -0.408 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.920 0.149 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.421 1.386 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.036 -2.344 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.570 -2.218 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.530 -1.711 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.361 0.291 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.306 -0.033 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.798 -1.289 3.444 1.00 0.00 H new ATOM 1194 N GLN A 82 1.292 -0.421 6.079 1.00 0.00 N ATOM 1195 CA GLN A 82 0.480 -0.985 7.151 1.00 0.00 C ATOM 1196 C GLN A 82 0.384 -2.501 7.022 1.00 0.00 C ATOM 1197 O GLN A 82 0.379 -3.221 8.021 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.920 -0.369 7.136 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.921 1.147 7.236 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.727 1.637 8.658 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.471 1.260 9.563 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.276 2.483 8.860 1.00 0.00 N ATOM 0 H GLN A 82 0.806 -0.327 5.187 1.00 0.00 H new ATOM 0 HA GLN A 82 0.962 -0.751 8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.427 -0.664 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.497 -0.779 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.128 1.550 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.864 1.533 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.868 2.768 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.455 2.848 9.796 1.00 0.00 H new ATOM 1211 N PHE A 83 0.306 -2.980 5.785 1.00 0.00 N ATOM 1212 CA PHE A 83 0.208 -4.412 5.524 1.00 0.00 C ATOM 1213 C PHE A 83 1.307 -4.868 4.570 1.00 0.00 C ATOM 1214 O PHE A 83 1.644 -4.169 3.614 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.164 -4.752 4.939 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.460 -6.224 4.920 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -1.043 -7.015 3.862 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -2.157 -6.816 5.961 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -1.314 -8.370 3.842 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -2.432 -8.171 5.947 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.010 -8.948 4.887 1.00 0.00 C ATOM 0 H PHE A 83 0.309 -2.398 4.947 1.00 0.00 H new ATOM 0 HA PHE A 83 0.333 -4.938 6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.934 -4.242 5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.222 -4.365 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.500 -6.567 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.489 -6.212 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.983 -8.976 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.976 -8.621 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.223 -10.007 4.874 1.00 0.00 H new ATOM 1231 N LEU A 84 1.863 -6.046 4.835 1.00 0.00 N ATOM 1232 CA LEU A 84 2.924 -6.596 3.999 1.00 0.00 C ATOM 1233 C LEU A 84 2.851 -8.120 3.964 1.00 0.00 C ATOM 1234 O LEU A 84 3.224 -8.792 4.926 1.00 0.00 O ATOM 1235 CB LEU A 84 4.294 -6.147 4.517 1.00 0.00 C ATOM 1236 CG LEU A 84 4.966 -5.047 3.695 1.00 0.00 C ATOM 1237 CD1 LEU A 84 6.126 -4.438 4.466 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.443 -5.597 2.359 1.00 0.00 C ATOM 0 H LEU A 84 1.596 -6.638 5.622 1.00 0.00 H new ATOM 0 HA LEU A 84 2.788 -6.221 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.181 -5.796 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.956 -7.013 4.548 1.00 0.00 H new ATOM 0 HG LEU A 84 4.233 -4.264 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.592 -3.657 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.758 -4.008 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.861 -5.212 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.919 -4.801 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.161 -6.399 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.591 -5.986 1.801 1.00 0.00 H new ATOM 1250 N GLY A 85 2.369 -8.659 2.849 1.00 0.00 N ATOM 1251 CA GLY A 85 2.256 -10.098 2.710 1.00 0.00 C ATOM 1252 C GLY A 85 1.277 -10.501 1.625 1.00 0.00 C ATOM 1253 O GLY A 85 0.963 -9.709 0.737 1.00 0.00 O ATOM 0 H GLY A 85 2.055 -8.124 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.237 -10.516 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.938 -10.528 3.660 1.00 0.00 H new ATOM 1257 N GLU A 86 0.794 -11.737 1.696 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.155 -12.244 0.712 1.00 0.00 C ATOM 1259 C GLU A 86 -1.534 -11.627 0.918 1.00 0.00 C ATOM 1260 O GLU A 86 -1.724 -10.787 1.797 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.247 -13.769 0.801 1.00 0.00 C ATOM 1262 CG GLU A 86 0.812 -14.490 -0.018 1.00 0.00 C ATOM 1263 CD GLU A 86 0.428 -15.923 -0.335 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -0.481 -16.123 -1.168 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.036 -16.843 0.250 1.00 0.00 O ATOM 0 H GLU A 86 1.044 -12.406 2.424 1.00 0.00 H new ATOM 0 HA GLU A 86 0.203 -11.965 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.155 -14.070 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.234 -14.086 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.978 -13.948 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.756 -14.483 0.528 1.00 0.00 H new ATOM 1272 N THR A 87 -2.493 -12.049 0.101 1.00 0.00 N ATOM 1273 CA THR A 87 -3.855 -11.537 0.192 1.00 0.00 C ATOM 1274 C THR A 87 -4.867 -12.609 -0.201 1.00 0.00 C ATOM 1275 O THR A 87 -4.495 -13.723 -0.570 1.00 0.00 O ATOM 1276 CB THR A 87 -4.022 -10.309 -0.703 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.307 -10.470 -1.915 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.545 -9.027 -0.055 1.00 0.00 C ATOM 0 H THR A 87 -2.352 -12.744 -0.632 1.00 0.00 H new ATOM 0 HA THR A 87 -4.040 -11.251 1.227 1.00 0.00 H new ATOM 0 HB THR A 87 -5.094 -10.228 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.495 -11.356 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.692 -8.195 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.113 -8.847 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.486 -9.114 0.188 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.148 -12.264 -0.121 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.213 -13.197 -0.469 1.00 0.00 C ATOM 1288 C GLN A 88 -7.624 -13.033 -1.929 1.00 0.00 C ATOM 1289 O GLN A 88 -8.032 -13.995 -2.580 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.425 -12.984 0.442 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.437 -13.893 1.660 1.00 0.00 C ATOM 1292 CD GLN A 88 -7.463 -13.445 2.732 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -6.591 -12.611 2.485 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.606 -13.999 3.930 1.00 0.00 N ATOM 0 H GLN A 88 -6.473 -11.346 0.182 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.835 -14.210 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.442 -11.946 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.336 -13.150 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.443 -13.921 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.191 -14.909 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.343 -14.686 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.979 -13.738 4.691 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.513 -11.811 -2.437 1.00 0.00 N ATOM 1304 CA PHE A 89 -7.873 -11.523 -3.821 1.00 0.00 C ATOM 1305 C PHE A 89 -6.771 -11.973 -4.775 1.00 0.00 C ATOM 1306 O PHE A 89 -7.041 -12.361 -5.911 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.140 -10.027 -4.001 1.00 0.00 C ATOM 1308 CG PHE A 89 -6.990 -9.158 -3.576 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -5.966 -8.861 -4.460 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.937 -8.636 -2.294 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -4.908 -8.062 -4.072 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.881 -7.835 -1.901 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.866 -7.547 -2.791 1.00 0.00 C ATOM 0 H PHE A 89 -7.177 -11.004 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.781 -12.078 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.366 -9.830 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.025 -9.752 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.995 -9.258 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.729 -8.857 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.114 -7.840 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.850 -7.435 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.041 -6.920 -2.486 1.00 0.00 H new ATOM 1323 N ALA A 90 -5.528 -11.920 -4.304 1.00 0.00 N ATOM 1324 CA ALA A 90 -4.388 -12.323 -5.116 1.00 0.00 C ATOM 1325 C ALA A 90 -3.404 -13.162 -4.303 1.00 0.00 C ATOM 1326 O ALA A 90 -3.188 -12.904 -3.119 1.00 0.00 O ATOM 1327 CB ALA A 90 -3.690 -11.099 -5.691 1.00 0.00 C ATOM 0 H ALA A 90 -5.287 -11.602 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.757 -12.937 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.840 -11.415 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.389 -10.540 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.340 -10.464 -4.877 1.00 0.00 H new ATOM 1333 N PRO A 91 -2.791 -14.182 -4.930 1.00 0.00 N ATOM 1334 CA PRO A 91 -1.828 -15.058 -4.256 1.00 0.00 C ATOM 1335 C PRO A 91 -0.476 -14.384 -4.055 1.00 0.00 C ATOM 1336 O PRO A 91 0.216 -14.638 -3.070 1.00 0.00 O ATOM 1337 CB PRO A 91 -1.700 -16.239 -5.217 1.00 0.00 C ATOM 1338 CG PRO A 91 -1.980 -15.660 -6.560 1.00 0.00 C ATOM 1339 CD PRO A 91 -2.989 -14.563 -6.344 1.00 0.00 C ATOM 0 HA PRO A 91 -2.157 -15.337 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.704 -16.679 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.408 -17.030 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.069 -15.267 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.370 -16.420 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.815 -13.721 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.005 -14.912 -6.527 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.104 -13.523 -4.998 1.00 0.00 N ATOM 1348 CA GLY A 92 1.166 -12.827 -4.906 1.00 0.00 C ATOM 1349 C GLY A 92 1.286 -12.001 -3.639 1.00 0.00 C ATOM 1350 O GLY A 92 0.375 -11.987 -2.811 1.00 0.00 O ATOM 0 H GLY A 92 -0.659 -13.296 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.978 -13.553 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.284 -12.176 -5.773 1.00 0.00 H new ATOM 1354 N GLN A 93 2.412 -11.312 -3.488 1.00 0.00 N ATOM 1355 CA GLN A 93 2.648 -10.482 -2.314 1.00 0.00 C ATOM 1356 C GLN A 93 2.252 -9.033 -2.581 1.00 0.00 C ATOM 1357 O GLN A 93 2.434 -8.524 -3.688 1.00 0.00 O ATOM 1358 CB GLN A 93 4.120 -10.552 -1.901 1.00 0.00 C ATOM 1359 CG GLN A 93 4.614 -11.967 -1.649 1.00 0.00 C ATOM 1360 CD GLN A 93 5.873 -12.001 -0.804 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.885 -12.579 -1.200 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.815 -11.382 0.369 1.00 0.00 N ATOM 0 H GLN A 93 3.175 -11.312 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 93 2.030 -10.864 -1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.730 -10.097 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.264 -9.959 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.831 -12.539 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.808 -12.456 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.955 -10.915 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.630 -11.373 0.982 1.00 0.00 H new ATOM 1371 N TRP A 94 1.711 -8.375 -1.561 1.00 0.00 N ATOM 1372 CA TRP A 94 1.290 -6.985 -1.685 1.00 0.00 C ATOM 1373 C TRP A 94 1.745 -6.170 -0.478 1.00 0.00 C ATOM 1374 O TRP A 94 2.183 -6.726 0.529 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.231 -6.901 -1.828 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.738 -7.455 -3.125 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.705 -8.758 -3.529 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.352 -6.718 -4.189 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.263 -8.878 -4.779 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.667 -7.640 -5.206 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.668 -5.370 -4.379 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.281 -7.255 -6.395 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -2.277 -4.990 -5.561 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.579 -5.929 -6.554 1.00 0.00 C ATOM 0 H TRP A 94 1.554 -8.782 -0.639 1.00 0.00 H new ATOM 0 HA TRP A 94 1.755 -6.569 -2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.696 -7.442 -1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.540 -5.859 -1.741 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.300 -9.575 -2.951 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.361 -9.747 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.441 -4.639 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.514 -7.977 -7.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.524 -3.951 -5.721 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.057 -5.600 -7.465 1.00 0.00 H new ATOM 1395 N ALA A 95 1.636 -4.850 -0.587 1.00 0.00 N ATOM 1396 CA ALA A 95 2.036 -3.959 0.496 1.00 0.00 C ATOM 1397 C ALA A 95 1.092 -2.767 0.603 1.00 0.00 C ATOM 1398 O ALA A 95 1.093 -1.882 -0.252 1.00 0.00 O ATOM 1399 CB ALA A 95 3.466 -3.484 0.287 1.00 0.00 C ATOM 0 H ALA A 95 1.274 -4.374 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 95 1.982 -4.517 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.752 -2.820 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.136 -4.344 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.537 -2.948 -0.659 1.00 0.00 H new ATOM 1405 N GLY A 96 0.285 -2.751 1.660 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.654 -1.663 1.859 1.00 0.00 C ATOM 1407 C GLY A 96 0.015 -0.407 2.380 1.00 0.00 C ATOM 1408 O GLY A 96 0.613 -0.414 3.456 1.00 0.00 O ATOM 0 H GLY A 96 0.265 -3.472 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.153 -1.441 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.426 -1.978 2.561 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.087 0.677 1.615 1.00 0.00 N ATOM 1413 CA ILE A 97 0.513 1.947 2.005 1.00 0.00 C ATOM 1414 C ILE A 97 -0.552 3.021 2.196 1.00 0.00 C ATOM 1415 O ILE A 97 -1.543 3.065 1.466 1.00 0.00 O ATOM 1416 CB ILE A 97 1.533 2.432 0.957 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.494 1.301 0.581 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.299 3.637 1.483 1.00 0.00 C ATOM 1419 CD1 ILE A 97 2.436 0.922 -0.883 1.00 0.00 C ATOM 0 H ILE A 97 -0.580 0.700 0.722 1.00 0.00 H new ATOM 0 HA ILE A 97 1.028 1.777 2.950 1.00 0.00 H new ATOM 0 HB ILE A 97 0.993 2.733 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.512 1.601 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.264 0.423 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.016 3.969 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.601 4.445 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.830 3.361 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.142 0.115 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.428 0.591 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.696 1.787 -1.493 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.342 3.888 3.181 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.284 4.963 3.468 1.00 0.00 C ATOM 1433 C VAL A 98 -0.743 6.308 2.994 1.00 0.00 C ATOM 1434 O VAL A 98 0.095 6.920 3.658 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.597 5.050 4.975 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.695 6.070 5.237 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.988 3.684 5.521 1.00 0.00 C ATOM 0 H VAL A 98 0.473 3.867 3.794 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.202 4.732 2.927 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.697 5.379 5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.901 6.116 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.372 7.050 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.600 5.775 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.205 3.766 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.873 3.323 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.166 2.984 5.371 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.228 6.762 1.843 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.791 8.036 1.280 1.00 0.00 C ATOM 1449 C LEU A 99 -1.102 9.186 2.235 1.00 0.00 C ATOM 1450 O LEU A 99 -1.974 9.072 3.096 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.468 8.281 -0.070 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.343 7.135 -1.074 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.173 7.421 -2.317 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.117 6.906 -1.445 1.00 0.00 C ATOM 0 H LEU A 99 -1.922 6.268 1.282 1.00 0.00 H new ATOM 0 HA LEU A 99 0.288 7.990 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.526 8.479 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.043 9.181 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.725 6.227 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.072 6.594 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.221 7.533 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.822 8.341 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.186 6.087 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.526 7.813 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.685 6.655 -0.549 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.382 10.291 2.076 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.580 11.460 2.925 1.00 0.00 C ATOM 1468 C ASP A 100 -1.326 12.561 2.176 1.00 0.00 C ATOM 1469 O ASP A 100 -1.113 13.748 2.424 1.00 0.00 O ATOM 1470 CB ASP A 100 0.765 11.988 3.423 1.00 0.00 C ATOM 1471 CG ASP A 100 0.619 12.908 4.619 1.00 0.00 C ATOM 1472 OD1 ASP A 100 0.398 12.398 5.737 1.00 0.00 O ATOM 1473 OD2 ASP A 100 0.724 14.139 4.437 1.00 0.00 O ATOM 0 H ASP A 100 0.343 10.402 1.368 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.183 11.156 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.405 11.148 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.263 12.524 2.615 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.202 12.160 1.260 1.00 0.00 N ATOM 1479 CA GLU A 101 -2.979 13.114 0.477 1.00 0.00 C ATOM 1480 C GLU A 101 -4.174 12.428 -0.185 1.00 0.00 C ATOM 1481 O GLU A 101 -4.026 11.372 -0.800 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.098 13.766 -0.592 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.241 14.904 -0.062 1.00 0.00 C ATOM 1484 CD GLU A 101 -1.037 16.003 -1.087 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -2.038 16.632 -1.490 1.00 0.00 O ATOM 1486 OE2 GLU A 101 0.123 16.236 -1.485 1.00 0.00 O ATOM 0 H GLU A 101 -2.391 11.182 1.042 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.350 13.884 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.449 13.007 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.733 14.143 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.710 15.324 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.271 14.512 0.244 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.379 13.017 -0.070 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.595 12.448 -0.665 1.00 0.00 C ATOM 1495 C PRO A 102 -6.460 12.239 -2.170 1.00 0.00 C ATOM 1496 O PRO A 102 -6.862 13.090 -2.963 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.672 13.497 -0.368 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.149 14.266 0.796 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.655 14.277 0.645 1.00 0.00 C ATOM 0 HA PRO A 102 -6.820 11.463 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.839 14.146 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.627 13.027 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.548 15.280 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.443 13.799 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.314 15.144 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.153 14.310 1.612 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.892 11.101 -2.557 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.704 10.780 -3.967 1.00 0.00 C ATOM 1509 C ILE A 103 -5.517 9.279 -4.168 1.00 0.00 C ATOM 1510 O ILE A 103 -4.836 8.849 -5.099 1.00 0.00 O ATOM 1511 CB ILE A 103 -4.488 11.519 -4.557 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -3.274 11.366 -3.637 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.815 12.989 -4.773 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.968 11.206 -4.383 1.00 0.00 C ATOM 0 H ILE A 103 -5.554 10.386 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.605 11.106 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.246 11.076 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.208 12.239 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.424 10.500 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.946 13.498 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.654 13.078 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.080 13.447 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.151 11.103 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.015 10.317 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.796 12.083 -5.007 1.00 0.00 H new ATOM 1526 N GLY A 104 -6.124 8.488 -3.290 1.00 0.00 N ATOM 1527 CA GLY A 104 -6.011 7.045 -3.391 1.00 0.00 C ATOM 1528 C GLY A 104 -7.158 6.425 -4.162 1.00 0.00 C ATOM 1529 O GLY A 104 -8.009 7.134 -4.699 1.00 0.00 O ATOM 0 H GLY A 104 -6.692 8.820 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.070 6.791 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.977 6.616 -2.390 1.00 0.00 H new ATOM 1533 N LYS A 105 -7.181 5.097 -4.216 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.231 4.379 -4.928 1.00 0.00 C ATOM 1535 C LYS A 105 -8.997 3.458 -3.983 1.00 0.00 C ATOM 1536 O LYS A 105 -10.217 3.327 -4.081 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.633 3.567 -6.076 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.594 4.328 -6.884 1.00 0.00 C ATOM 1539 CD LYS A 105 -6.564 3.865 -8.331 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.141 3.772 -8.857 1.00 0.00 C ATOM 1541 NZ LYS A 105 -5.095 3.813 -10.345 1.00 0.00 N ATOM 0 H LYS A 105 -6.484 4.497 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.927 5.113 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.176 2.664 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.436 3.248 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.813 5.395 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.610 4.189 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.047 2.892 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.136 4.558 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.550 4.594 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.684 2.847 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.107 3.747 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.638 3.014 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.508 4.706 -10.681 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.274 2.821 -3.069 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.885 1.911 -2.107 1.00 0.00 C ATOM 1557 C ASN A 106 -9.028 2.579 -0.743 1.00 0.00 C ATOM 1558 O ASN A 106 -8.720 3.759 -0.582 1.00 0.00 O ATOM 1559 CB ASN A 106 -8.051 0.635 -1.979 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.902 -0.619 -2.010 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -9.732 -0.798 -2.902 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -8.703 -1.495 -1.032 1.00 0.00 N ATOM 0 H ASN A 106 -7.263 2.918 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.879 1.651 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.324 0.597 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.487 0.665 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.249 -2.356 -1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.005 -1.307 -0.313 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.499 1.814 0.238 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.683 2.331 1.588 1.00 0.00 C ATOM 1571 C ASP A 107 -9.186 1.330 2.626 1.00 0.00 C ATOM 1572 O ASP A 107 -9.710 1.262 3.739 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.157 2.653 1.837 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.661 3.777 0.954 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.829 4.586 0.490 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.886 3.849 0.724 1.00 0.00 O ATOM 0 H ASP A 107 -9.760 0.835 0.122 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.098 3.246 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.756 1.760 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.294 2.927 2.883 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.172 0.556 2.256 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.621 -0.431 3.166 1.00 0.00 C ATOM 1583 C GLY A 108 -8.501 -1.659 3.292 1.00 0.00 C ATOM 1584 O GLY A 108 -8.513 -2.320 4.331 1.00 0.00 O ATOM 0 H GLY A 108 -7.721 0.594 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.633 -0.730 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.489 0.020 4.150 1.00 0.00 H new ATOM 1588 N SER A 109 -9.238 -1.967 2.229 1.00 0.00 N ATOM 1589 CA SER A 109 -10.126 -3.123 2.225 1.00 0.00 C ATOM 1590 C SER A 109 -10.416 -3.581 0.799 1.00 0.00 C ATOM 1591 O SER A 109 -10.752 -2.773 -0.067 1.00 0.00 O ATOM 1592 CB SER A 109 -11.436 -2.791 2.942 1.00 0.00 C ATOM 1593 OG SER A 109 -11.893 -3.893 3.705 1.00 0.00 O ATOM 0 H SER A 109 -9.237 -1.432 1.360 1.00 0.00 H new ATOM 0 HA SER A 109 -9.626 -3.934 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.289 -1.929 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.194 -2.512 2.210 1.00 0.00 H new ATOM 0 HG SER A 109 -12.731 -3.655 4.155 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.284 -4.882 0.562 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.532 -5.448 -0.759 1.00 0.00 C ATOM 1601 C VAL A 110 -11.414 -6.688 -0.668 1.00 0.00 C ATOM 1602 O VAL A 110 -11.128 -7.611 0.095 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.216 -5.819 -1.467 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -9.479 -6.217 -2.911 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.228 -4.664 -1.397 1.00 0.00 C ATOM 0 H VAL A 110 -10.007 -5.564 1.268 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.045 -4.682 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.778 -6.674 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.537 -6.476 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.148 -7.078 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.941 -5.383 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.304 -4.945 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.657 -3.788 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.014 -4.431 -0.354 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.489 -6.702 -1.450 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.413 -7.829 -1.457 1.00 0.00 C ATOM 1617 C ALA A 111 -14.018 -8.052 -0.075 1.00 0.00 C ATOM 1618 O ALA A 111 -14.204 -9.190 0.357 1.00 0.00 O ATOM 1619 CB ALA A 111 -12.706 -9.088 -1.936 1.00 0.00 C ATOM 0 H ALA A 111 -12.741 -5.946 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.225 -7.597 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.408 -9.922 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.329 -8.931 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.874 -9.314 -1.269 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.323 -6.958 0.614 1.00 0.00 N ATOM 1626 CA GLY A 112 -14.904 -7.056 1.941 1.00 0.00 C ATOM 1627 C GLY A 112 -13.928 -7.605 2.963 1.00 0.00 C ATOM 1628 O GLY A 112 -14.334 -8.214 3.953 1.00 0.00 O ATOM 0 H GLY A 112 -14.179 -6.006 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.242 -6.070 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.784 -7.698 1.902 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.638 -7.389 2.724 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.603 -7.867 3.632 1.00 0.00 C ATOM 1634 C VAL A 113 -10.653 -6.741 4.022 1.00 0.00 C ATOM 1635 O VAL A 113 -9.813 -6.320 3.226 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.790 -9.016 3.004 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.819 -9.603 4.018 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.716 -10.094 2.460 1.00 0.00 C ATOM 0 H VAL A 113 -12.286 -6.886 1.909 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.110 -8.237 4.523 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.212 -8.611 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.255 -10.413 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.131 -8.827 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.375 -9.990 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.122 -10.896 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.324 -10.495 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.366 -9.665 1.698 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.790 -6.255 5.251 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.944 -5.176 5.746 1.00 0.00 C ATOM 1650 C ARG A 114 -8.564 -5.699 6.130 1.00 0.00 C ATOM 1651 O ARG A 114 -8.443 -6.658 6.893 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.599 -4.498 6.952 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.386 -2.993 6.993 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.635 -2.237 6.566 1.00 0.00 C ATOM 1655 NE ARG A 114 -11.967 -1.160 7.495 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.821 -0.178 7.217 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -13.431 -0.132 6.038 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -13.066 0.762 8.119 1.00 0.00 N ATOM 0 H ARG A 114 -11.480 -6.592 5.923 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.826 -4.445 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.669 -4.705 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -10.201 -4.938 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.106 -2.692 8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.557 -2.725 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.485 -1.822 5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.474 -2.930 6.500 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.518 -1.161 8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.246 -0.852 5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.085 0.623 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.600 0.732 9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.721 1.515 7.906 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.526 -5.063 5.596 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.154 -5.463 5.885 1.00 0.00 C ATOM 1674 C TYR A 115 -5.487 -4.475 6.836 1.00 0.00 C ATOM 1675 O TYR A 115 -4.693 -4.862 7.693 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.348 -5.565 4.588 1.00 0.00 C ATOM 1677 CG TYR A 115 -5.860 -6.622 3.636 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -6.885 -6.339 2.741 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.320 -7.902 3.632 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.357 -7.304 1.869 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -5.785 -8.870 2.763 1.00 0.00 C ATOM 1682 CZ TYR A 115 -6.804 -8.566 1.885 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.270 -9.528 1.018 1.00 0.00 O ATOM 0 H TYR A 115 -7.609 -4.269 4.961 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.180 -6.440 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.362 -4.598 4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.308 -5.782 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.320 -5.351 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.523 -8.144 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.155 -7.069 1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.353 -9.860 2.771 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.065 -9.265 0.097 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.814 -3.196 6.677 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.247 -2.152 7.523 1.00 0.00 C ATOM 1695 C PHE A 116 -6.150 -0.922 7.547 1.00 0.00 C ATOM 1696 O PHE A 116 -6.477 -0.359 6.502 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.853 -1.767 7.027 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.836 -1.261 5.617 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.832 -2.149 4.555 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.817 0.098 5.355 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.811 -1.690 3.254 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.796 0.563 4.056 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.793 -0.334 3.005 1.00 0.00 C ATOM 0 H PHE A 116 -6.468 -2.858 5.971 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.169 -2.542 8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.442 -1.001 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.198 -2.635 7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.845 -3.212 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.819 0.801 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.809 -2.391 2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.782 1.625 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.777 0.027 1.987 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.549 -0.511 8.747 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.414 0.652 8.907 1.00 0.00 C ATOM 1715 C GLN A 117 -6.685 1.931 8.504 1.00 0.00 C ATOM 1716 O GLN A 117 -5.606 2.232 9.016 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.896 0.757 10.356 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.405 0.889 10.486 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.911 2.250 10.051 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.130 3.137 10.877 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -10.102 2.423 8.748 1.00 0.00 N ATOM 0 H GLN A 117 -6.287 -0.966 9.622 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.277 0.528 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.568 -0.126 10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.422 1.619 10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.887 0.117 9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.693 0.712 11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.908 1.661 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.443 3.318 8.397 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.280 2.679 7.580 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.688 3.925 7.106 1.00 0.00 C ATOM 1732 C CYS A 118 -7.768 4.911 6.674 1.00 0.00 C ATOM 1733 O CYS A 118 -8.960 4.614 6.748 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.735 3.649 5.942 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.463 2.668 4.609 1.00 0.00 S ATOM 0 H CYS A 118 -8.172 2.444 7.145 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.127 4.369 7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.392 4.600 5.534 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.855 3.130 6.322 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.618 1.756 4.230 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.341 6.086 6.222 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.273 7.117 5.777 1.00 0.00 C ATOM 1743 C GLU A 119 -8.652 6.914 4.312 1.00 0.00 C ATOM 1744 O GLU A 119 -7.855 6.411 3.520 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.659 8.505 5.970 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.826 9.054 7.377 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.703 9.993 7.774 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -6.573 11.063 7.142 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -5.954 9.658 8.714 1.00 0.00 O ATOM 0 H GLU A 119 -6.358 6.348 6.154 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.177 7.040 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.597 8.460 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.116 9.197 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.777 9.581 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.869 8.225 8.084 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.881 7.305 3.931 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.363 7.162 2.553 1.00 0.00 C ATOM 1758 C PRO A 120 -9.449 7.853 1.545 1.00 0.00 C ATOM 1759 O PRO A 120 -8.876 8.904 1.831 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.736 7.840 2.578 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.158 7.796 4.006 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.896 7.914 4.810 1.00 0.00 C ATOM 0 HA PRO A 120 -10.396 6.118 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.677 8.866 2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.447 7.316 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.845 8.610 4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.679 6.866 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.660 8.953 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.973 7.388 5.761 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.319 7.256 0.365 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.476 7.813 -0.686 1.00 0.00 C ATOM 1772 C LEU A 121 -7.028 7.936 -0.219 1.00 0.00 C ATOM 1773 O LEU A 121 -6.312 8.853 -0.619 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.000 9.184 -1.117 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.524 9.299 -1.199 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.940 10.748 -1.398 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.063 8.429 -2.323 1.00 0.00 C ATOM 0 H LEU A 121 -9.787 6.386 0.113 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.508 7.133 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.632 9.933 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.580 9.426 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.947 8.947 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.027 10.810 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.585 11.347 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.507 11.127 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.148 8.523 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.632 8.751 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.796 7.389 -2.138 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.605 7.005 0.630 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.242 7.010 1.150 1.00 0.00 C ATOM 1791 C LYS A 122 -4.625 5.617 1.071 1.00 0.00 C ATOM 1792 O LYS A 122 -3.486 5.455 0.632 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.227 7.506 2.597 1.00 0.00 C ATOM 1794 CG LYS A 122 -6.008 8.794 2.806 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.219 9.802 3.627 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.433 11.221 3.123 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.008 12.236 4.126 1.00 0.00 N ATOM 0 H LYS A 122 -7.185 6.239 0.972 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.648 7.687 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.641 6.731 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.194 7.662 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.259 9.229 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.949 8.572 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.520 9.737 4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.158 9.556 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.873 11.367 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.486 11.366 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.170 13.190 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.560 12.114 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.997 12.114 4.336 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.385 4.613 1.499 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.896 3.249 1.467 1.00 0.00 C ATOM 1813 C GLY A 123 -4.897 2.665 0.067 1.00 0.00 C ATOM 1814 O GLY A 123 -5.954 2.342 -0.477 1.00 0.00 O ATOM 0 H GLY A 123 -6.330 4.721 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.883 3.220 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.514 2.629 2.116 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.712 2.533 -0.518 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.580 1.986 -1.863 1.00 0.00 C ATOM 1820 C ILE A 124 -2.743 0.710 -1.858 1.00 0.00 C ATOM 1821 O ILE A 124 -1.707 0.638 -1.197 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.940 3.008 -2.825 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.917 2.458 -4.252 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.536 3.369 -2.366 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.701 3.521 -5.307 1.00 0.00 C ATOM 0 H ILE A 124 -2.829 2.797 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.586 1.754 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.545 3.915 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.126 1.712 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.859 1.947 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.101 4.091 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.580 3.804 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.918 2.471 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.696 3.058 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.505 4.255 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.746 4.017 -5.134 1.00 0.00 H new ATOM 1837 N PHE A 125 -3.199 -0.295 -2.597 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.493 -1.568 -2.678 1.00 0.00 C ATOM 1839 C PHE A 125 -1.632 -1.635 -3.935 1.00 0.00 C ATOM 1840 O PHE A 125 -2.142 -1.562 -5.054 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.490 -2.729 -2.662 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.611 -3.399 -1.323 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.565 -4.153 -0.814 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.769 -3.275 -0.574 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -2.673 -4.770 0.417 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -4.883 -3.889 0.659 1.00 0.00 C ATOM 1847 CZ PHE A 125 -3.834 -4.638 1.155 1.00 0.00 C ATOM 0 H PHE A 125 -4.056 -0.253 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.839 -1.649 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -4.470 -2.360 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.186 -3.468 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.655 -4.259 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.593 -2.692 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.851 -5.355 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -5.791 -3.783 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.921 -5.120 2.118 1.00 0.00 H new ATOM 1857 N THR A 126 -0.325 -1.773 -3.744 1.00 0.00 N ATOM 1858 CA THR A 126 0.609 -1.851 -4.862 1.00 0.00 C ATOM 1859 C THR A 126 1.750 -2.814 -4.551 1.00 0.00 C ATOM 1860 O THR A 126 1.850 -3.333 -3.439 1.00 0.00 O ATOM 1861 CB THR A 126 1.169 -0.465 -5.183 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.206 -0.554 -6.144 1.00 0.00 O ATOM 1863 CG2 THR A 126 1.725 0.251 -3.972 1.00 0.00 C ATOM 0 H THR A 126 0.113 -1.833 -2.825 1.00 0.00 H new ATOM 0 HA THR A 126 0.067 -2.226 -5.730 1.00 0.00 H new ATOM 0 HB THR A 126 0.324 0.107 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.550 0.343 -6.338 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.106 1.228 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 126 0.936 0.380 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.535 -0.338 -3.541 1.00 0.00 H new ATOM 1871 N ARG A 127 2.606 -3.050 -5.540 1.00 0.00 N ATOM 1872 CA ARG A 127 3.740 -3.952 -5.368 1.00 0.00 C ATOM 1873 C ARG A 127 4.898 -3.244 -4.667 1.00 0.00 C ATOM 1874 O ARG A 127 5.194 -2.086 -4.961 1.00 0.00 O ATOM 1875 CB ARG A 127 4.200 -4.490 -6.724 1.00 0.00 C ATOM 1876 CG ARG A 127 4.708 -3.411 -7.666 1.00 0.00 C ATOM 1877 CD ARG A 127 4.624 -3.854 -9.118 1.00 0.00 C ATOM 1878 NE ARG A 127 5.761 -4.687 -9.503 1.00 0.00 N ATOM 1879 CZ ARG A 127 6.122 -4.912 -10.764 1.00 0.00 C ATOM 1880 NH1 ARG A 127 5.438 -4.370 -11.764 1.00 0.00 N ATOM 1881 NH2 ARG A 127 7.168 -5.683 -11.026 1.00 0.00 N ATOM 0 H ARG A 127 2.537 -2.630 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 127 3.418 -4.786 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.990 -5.224 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 127 3.370 -5.013 -7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.124 -2.501 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.741 -3.167 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.699 -4.409 -9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.583 -2.976 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 127 6.310 -5.122 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.631 -3.778 -11.568 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.719 -4.546 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.696 -6.104 -10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.445 -5.856 -11.992 1.00 0.00 H new ATOM 1895 N PRO A 128 5.574 -3.931 -3.726 1.00 0.00 N ATOM 1896 CA PRO A 128 6.704 -3.354 -2.988 1.00 0.00 C ATOM 1897 C PRO A 128 7.808 -2.857 -3.915 1.00 0.00 C ATOM 1898 O PRO A 128 8.422 -1.819 -3.666 1.00 0.00 O ATOM 1899 CB PRO A 128 7.213 -4.519 -2.133 1.00 0.00 C ATOM 1900 CG PRO A 128 6.056 -5.449 -2.021 1.00 0.00 C ATOM 1901 CD PRO A 128 5.292 -5.316 -3.308 1.00 0.00 C ATOM 0 HA PRO A 128 6.403 -2.483 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.068 -5.007 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.539 -4.175 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.393 -6.475 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.430 -5.192 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.629 -6.038 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.225 -5.483 -3.162 1.00 0.00 H new ATOM 1909 N SER A 129 8.057 -3.606 -4.984 1.00 0.00 N ATOM 1910 CA SER A 129 9.090 -3.245 -5.950 1.00 0.00 C ATOM 1911 C SER A 129 8.845 -1.851 -6.521 1.00 0.00 C ATOM 1912 O SER A 129 9.784 -1.159 -6.915 1.00 0.00 O ATOM 1913 CB SER A 129 9.138 -4.272 -7.083 1.00 0.00 C ATOM 1914 OG SER A 129 7.871 -4.876 -7.278 1.00 0.00 O ATOM 0 H SER A 129 7.557 -4.468 -5.204 1.00 0.00 H new ATOM 0 HA SER A 129 10.049 -3.239 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.459 -3.786 -8.005 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.878 -5.038 -6.852 1.00 0.00 H new ATOM 0 HG SER A 129 7.983 -5.722 -7.760 1.00 0.00 H new ATOM 1920 N LYS A 130 7.580 -1.446 -6.564 1.00 0.00 N ATOM 1921 CA LYS A 130 7.215 -0.135 -7.088 1.00 0.00 C ATOM 1922 C LYS A 130 7.551 0.969 -6.088 1.00 0.00 C ATOM 1923 O LYS A 130 7.708 2.131 -6.465 1.00 0.00 O ATOM 1924 CB LYS A 130 5.724 -0.095 -7.428 1.00 0.00 C ATOM 1925 CG LYS A 130 5.415 -0.503 -8.860 1.00 0.00 C ATOM 1926 CD LYS A 130 5.243 0.709 -9.760 1.00 0.00 C ATOM 1927 CE LYS A 130 6.584 1.255 -10.223 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.247 0.346 -11.199 1.00 0.00 N ATOM 0 H LYS A 130 6.791 -2.007 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 130 7.793 0.037 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.187 -0.755 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.348 0.914 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.220 -1.130 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.506 -1.104 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.641 0.437 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 130 4.698 1.486 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.439 2.234 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.235 1.398 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 7.984 0.868 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.680 -0.452 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.541 -0.014 -11.873 1.00 0.00 H new ATOM 1942 N LEU A 131 7.658 0.602 -4.814 1.00 0.00 N ATOM 1943 CA LEU A 131 7.974 1.567 -3.767 1.00 0.00 C ATOM 1944 C LEU A 131 9.456 1.929 -3.785 1.00 0.00 C ATOM 1945 O LEU A 131 10.280 1.187 -4.318 1.00 0.00 O ATOM 1946 CB LEU A 131 7.591 1.006 -2.397 1.00 0.00 C ATOM 1947 CG LEU A 131 6.245 0.281 -2.347 1.00 0.00 C ATOM 1948 CD1 LEU A 131 5.928 -0.157 -0.926 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.140 1.173 -2.890 1.00 0.00 C ATOM 0 H LEU A 131 7.531 -0.354 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 131 7.397 2.472 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.370 0.316 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.572 1.825 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 131 6.309 -0.608 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.967 -0.671 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.707 -0.832 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.883 0.718 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.189 0.642 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.076 2.080 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.361 1.438 -3.924 1.00 0.00 H new ATOM 1961 N THR A 132 9.785 3.075 -3.198 1.00 0.00 N ATOM 1962 CA THR A 132 11.166 3.539 -3.144 1.00 0.00 C ATOM 1963 C THR A 132 11.412 4.362 -1.883 1.00 0.00 C ATOM 1964 O THR A 132 10.475 4.882 -1.279 1.00 0.00 O ATOM 1965 CB THR A 132 11.497 4.371 -4.383 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.538 5.396 -4.568 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.547 3.555 -5.656 1.00 0.00 C ATOM 0 H THR A 132 9.113 3.700 -2.753 1.00 0.00 H new ATOM 0 HA THR A 132 11.817 2.665 -3.120 1.00 0.00 H new ATOM 0 HB THR A 132 12.488 4.785 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.895 6.243 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.787 4.206 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.312 2.784 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.578 3.086 -5.826 1.00 0.00 H new ATOM 1975 N ARG A 133 12.677 4.476 -1.493 1.00 0.00 N ATOM 1976 CA ARG A 133 13.043 5.237 -0.303 1.00 0.00 C ATOM 1977 C ARG A 133 13.249 6.711 -0.642 1.00 0.00 C ATOM 1978 O ARG A 133 14.155 7.063 -1.398 1.00 0.00 O ATOM 1979 CB ARG A 133 14.312 4.658 0.328 1.00 0.00 C ATOM 1980 CG ARG A 133 14.135 4.249 1.781 1.00 0.00 C ATOM 1981 CD ARG A 133 15.385 4.532 2.598 1.00 0.00 C ATOM 1982 NE ARG A 133 15.194 4.232 4.014 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.198 3.000 4.519 1.00 0.00 C ATOM 1984 NH1 ARG A 133 15.385 1.952 3.727 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.014 2.816 5.819 1.00 0.00 N ATOM 0 H ARG A 133 13.465 4.052 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 133 12.226 5.161 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.632 3.790 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.111 5.397 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.290 4.786 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.898 3.186 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.213 3.939 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.663 5.580 2.484 1.00 0.00 H new ATOM 0 HE ARG A 133 15.049 5.013 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.527 2.088 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.387 1.010 4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.869 3.618 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.017 1.872 6.206 1.00 0.00 H new ATOM 1999 N LYS A 134 12.404 7.566 -0.076 1.00 0.00 N ATOM 2000 CA LYS A 134 12.492 9.002 -0.317 1.00 0.00 C ATOM 2001 C LYS A 134 12.349 9.315 -1.803 1.00 0.00 C ATOM 2002 O LYS A 134 12.367 8.414 -2.642 1.00 0.00 O ATOM 2003 CB LYS A 134 13.822 9.548 0.207 1.00 0.00 C ATOM 2004 CG LYS A 134 14.101 9.182 1.654 1.00 0.00 C ATOM 2005 CD LYS A 134 13.095 9.825 2.597 1.00 0.00 C ATOM 2006 CE LYS A 134 13.677 11.049 3.283 1.00 0.00 C ATOM 2007 NZ LYS A 134 14.302 10.709 4.591 1.00 0.00 N ATOM 0 H LYS A 134 11.650 7.290 0.553 1.00 0.00 H new ATOM 0 HA LYS A 134 11.674 9.485 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.632 9.170 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.824 10.634 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.068 8.099 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.108 9.500 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.203 10.109 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.784 9.099 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.422 11.509 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.890 11.787 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.687 11.571 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.586 10.293 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.070 10.024 4.441 1.00 0.00 H new