USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 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= -0.336 X(o=-0.34,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 87 THR OG1 : rot 12:sc= 0.75 USER MOD Single : A 88 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 93 GLN : amide:sc=-0.00604 X(o=-0.006,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0425) USER MOD Single : A 106 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.0052) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0.0478 USER MOD Single : A 117 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 118 CYS SG : rot -134:sc= 0.506 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0654) USER MOD Single : A 132 THR OG1 : rot -160:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0341) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 11.019 -4.554 3.453 1.00 0.00 N ATOM 916 CA PHE A 65 10.136 -3.558 4.050 1.00 0.00 C ATOM 917 C PHE A 65 9.511 -4.085 5.337 1.00 0.00 C ATOM 918 O PHE A 65 9.585 -5.278 5.632 1.00 0.00 O ATOM 919 CB PHE A 65 9.040 -3.160 3.061 1.00 0.00 C ATOM 920 CG PHE A 65 9.537 -2.318 1.921 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.914 -1.000 2.129 1.00 0.00 C ATOM 922 CD2 PHE A 65 9.628 -2.843 0.642 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.372 -0.223 1.083 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.086 -2.070 -0.408 1.00 0.00 C ATOM 925 CZ PHE A 65 10.459 -0.759 -0.187 1.00 0.00 C ATOM 0 HA PHE A 65 10.733 -2.679 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.578 -4.062 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.262 -2.613 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.849 -0.576 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.338 -3.868 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.662 0.803 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.152 -2.491 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.818 -0.154 -1.006 1.00 0.00 H new ATOM 935 N ARG A 66 8.895 -3.189 6.100 1.00 0.00 N ATOM 936 CA ARG A 66 8.256 -3.564 7.357 1.00 0.00 C ATOM 937 C ARG A 66 7.083 -2.641 7.670 1.00 0.00 C ATOM 938 O ARG A 66 6.952 -1.566 7.081 1.00 0.00 O ATOM 939 CB ARG A 66 9.272 -3.523 8.501 1.00 0.00 C ATOM 940 CG ARG A 66 9.968 -4.852 8.744 1.00 0.00 C ATOM 941 CD ARG A 66 11.443 -4.659 9.060 1.00 0.00 C ATOM 942 NE ARG A 66 11.687 -4.557 10.497 1.00 0.00 N ATOM 943 CZ ARG A 66 11.735 -5.604 11.317 1.00 0.00 C ATOM 944 NH1 ARG A 66 11.556 -6.832 10.848 1.00 0.00 N ATOM 945 NH2 ARG A 66 11.963 -5.423 12.611 1.00 0.00 N ATOM 0 H ARG A 66 8.824 -2.198 5.870 1.00 0.00 H new ATOM 0 HA ARG A 66 7.876 -4.580 7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.023 -2.764 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.765 -3.215 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.483 -5.372 9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.863 -5.485 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.013 -5.495 8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.804 -3.757 8.566 1.00 0.00 H new ATOM 0 HE ARG A 66 11.829 -3.629 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.380 -6.978 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.594 -7.630 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.102 -4.481 12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.000 -6.226 13.240 1.00 0.00 H new ATOM 959 N VAL A 67 6.232 -3.066 8.597 1.00 0.00 N ATOM 960 CA VAL A 67 5.070 -2.277 8.989 1.00 0.00 C ATOM 961 C VAL A 67 5.484 -1.060 9.810 1.00 0.00 C ATOM 962 O VAL A 67 5.736 -1.165 11.011 1.00 0.00 O ATOM 963 CB VAL A 67 4.070 -3.118 9.805 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.792 -2.332 10.060 1.00 0.00 C ATOM 965 CG2 VAL A 67 3.766 -4.426 9.092 1.00 0.00 C ATOM 0 H VAL A 67 6.325 -3.953 9.091 1.00 0.00 H new ATOM 0 HA VAL A 67 4.588 -1.944 8.070 1.00 0.00 H new ATOM 0 HB VAL A 67 4.523 -3.352 10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.098 -2.943 10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.028 -1.425 10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.334 -2.064 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.058 -5.007 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.335 -4.215 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.687 -4.995 8.967 1.00 0.00 H new ATOM 975 N GLY A 68 5.551 0.094 9.153 1.00 0.00 N ATOM 976 CA GLY A 68 5.934 1.315 9.838 1.00 0.00 C ATOM 977 C GLY A 68 7.094 2.019 9.162 1.00 0.00 C ATOM 978 O GLY A 68 7.990 2.536 9.829 1.00 0.00 O ATOM 0 H GLY A 68 5.347 0.205 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.078 1.989 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.205 1.081 10.867 1.00 0.00 H new ATOM 982 N GLU A 69 7.079 2.040 7.833 1.00 0.00 N ATOM 983 CA GLU A 69 8.136 2.685 7.065 1.00 0.00 C ATOM 984 C GLU A 69 7.551 3.570 5.969 1.00 0.00 C ATOM 985 O GLU A 69 6.597 3.187 5.292 1.00 0.00 O ATOM 986 CB GLU A 69 9.061 1.634 6.446 1.00 0.00 C ATOM 987 CG GLU A 69 9.640 0.661 7.460 1.00 0.00 C ATOM 988 CD GLU A 69 11.031 1.053 7.916 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.189 2.174 8.444 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.964 0.239 7.745 1.00 0.00 O ATOM 0 H GLU A 69 6.345 1.617 7.265 1.00 0.00 H new ATOM 0 HA GLU A 69 8.712 3.312 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.508 1.074 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.879 2.139 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.979 0.608 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.673 -0.337 7.023 1.00 0.00 H new ATOM 997 N ARG A 70 8.128 4.756 5.802 1.00 0.00 N ATOM 998 CA ARG A 70 7.663 5.696 4.788 1.00 0.00 C ATOM 999 C ARG A 70 8.218 5.333 3.415 1.00 0.00 C ATOM 1000 O ARG A 70 9.429 5.198 3.240 1.00 0.00 O ATOM 1001 CB ARG A 70 8.075 7.121 5.157 1.00 0.00 C ATOM 1002 CG ARG A 70 7.397 8.188 4.311 1.00 0.00 C ATOM 1003 CD ARG A 70 7.037 9.410 5.139 1.00 0.00 C ATOM 1004 NE ARG A 70 8.138 10.368 5.210 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.987 11.647 5.547 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.785 12.125 5.845 1.00 0.00 N ATOM 1007 NH2 ARG A 70 9.041 12.451 5.586 1.00 0.00 N ATOM 0 H ARG A 70 8.918 5.089 6.355 1.00 0.00 H new ATOM 0 HA ARG A 70 6.575 5.639 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.841 7.298 6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.156 7.217 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.058 8.482 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.495 7.776 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.162 9.895 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.763 9.097 6.147 1.00 0.00 H new ATOM 0 HE ARG A 70 9.077 10.037 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.971 11.511 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.676 13.106 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.967 12.089 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.926 13.431 5.844 1.00 0.00 H new ATOM 1021 N VAL A 71 7.323 5.176 2.444 1.00 0.00 N ATOM 1022 CA VAL A 71 7.725 4.830 1.085 1.00 0.00 C ATOM 1023 C VAL A 71 7.033 5.725 0.064 1.00 0.00 C ATOM 1024 O VAL A 71 6.053 6.400 0.378 1.00 0.00 O ATOM 1025 CB VAL A 71 7.405 3.358 0.762 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.390 2.432 1.458 1.00 0.00 C ATOM 1027 CG2 VAL A 71 5.975 3.023 1.159 1.00 0.00 C ATOM 0 H VAL A 71 6.317 5.283 2.573 1.00 0.00 H new ATOM 0 HA VAL A 71 8.803 4.981 1.025 1.00 0.00 H new ATOM 0 HB VAL A 71 7.503 3.212 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.148 1.397 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.402 2.656 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.328 2.579 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.767 1.979 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.847 3.186 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.285 3.663 0.609 1.00 0.00 H new ATOM 1037 N TRP A 72 7.550 5.726 -1.161 1.00 0.00 N ATOM 1038 CA TRP A 72 6.985 6.539 -2.231 1.00 0.00 C ATOM 1039 C TRP A 72 6.483 5.663 -3.373 1.00 0.00 C ATOM 1040 O TRP A 72 7.275 5.062 -4.098 1.00 0.00 O ATOM 1041 CB TRP A 72 8.030 7.524 -2.757 1.00 0.00 C ATOM 1042 CG TRP A 72 8.115 8.790 -1.962 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.724 10.037 -2.360 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.628 8.936 -0.632 1.00 0.00 C ATOM 1045 NE1 TRP A 72 7.962 10.948 -1.360 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.516 10.297 -0.289 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.169 8.049 0.301 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.928 10.789 0.947 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.577 8.538 1.527 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.454 9.897 1.841 1.00 0.00 C ATOM 0 H TRP A 72 8.361 5.172 -1.437 1.00 0.00 H new ATOM 0 HA TRP A 72 6.141 7.095 -1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.006 7.039 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.796 7.770 -3.793 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.291 10.272 -3.321 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.759 11.947 -1.407 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.267 6.999 0.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.836 11.837 1.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.998 7.861 2.255 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.781 10.248 2.809 1.00 0.00 H new ATOM 1061 N VAL A 73 5.165 5.601 -3.537 1.00 0.00 N ATOM 1062 CA VAL A 73 4.570 4.802 -4.603 1.00 0.00 C ATOM 1063 C VAL A 73 4.989 5.338 -5.966 1.00 0.00 C ATOM 1064 O VAL A 73 4.565 6.419 -6.375 1.00 0.00 O ATOM 1065 CB VAL A 73 3.031 4.786 -4.516 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.460 3.677 -5.386 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.576 4.627 -3.072 1.00 0.00 C ATOM 0 H VAL A 73 4.492 6.092 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 73 4.932 3.781 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 73 2.656 5.740 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.372 3.680 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.754 3.840 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.844 2.715 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.487 4.618 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.961 3.690 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.954 5.459 -2.478 1.00 0.00 H new ATOM 1077 N ASN A 74 5.834 4.583 -6.661 1.00 0.00 N ATOM 1078 CA ASN A 74 6.327 4.989 -7.974 1.00 0.00 C ATOM 1079 C ASN A 74 7.327 6.138 -7.849 1.00 0.00 C ATOM 1080 O ASN A 74 7.711 6.749 -8.846 1.00 0.00 O ATOM 1081 CB ASN A 74 5.164 5.406 -8.881 1.00 0.00 C ATOM 1082 CG ASN A 74 5.196 4.703 -10.223 1.00 0.00 C ATOM 1083 OD1 ASN A 74 5.467 5.318 -11.254 1.00 0.00 O ATOM 1084 ND2 ASN A 74 4.918 3.404 -10.217 1.00 0.00 N ATOM 0 H ASN A 74 6.193 3.685 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 74 6.834 4.134 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.221 5.186 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.198 6.484 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.924 2.877 -11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.699 2.933 -9.339 1.00 0.00 H new ATOM 1091 N GLY A 75 7.746 6.428 -6.617 1.00 0.00 N ATOM 1092 CA GLY A 75 8.692 7.502 -6.389 1.00 0.00 C ATOM 1093 C GLY A 75 8.052 8.869 -6.500 1.00 0.00 C ATOM 1094 O GLY A 75 8.629 9.785 -7.085 1.00 0.00 O ATOM 0 H GLY A 75 7.445 5.936 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.133 7.390 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.505 7.425 -7.111 1.00 0.00 H new ATOM 1098 N ASN A 76 6.854 9.006 -5.942 1.00 0.00 N ATOM 1099 CA ASN A 76 6.134 10.271 -5.988 1.00 0.00 C ATOM 1100 C ASN A 76 4.850 10.210 -5.164 1.00 0.00 C ATOM 1101 O ASN A 76 3.856 10.852 -5.503 1.00 0.00 O ATOM 1102 CB ASN A 76 5.802 10.628 -7.437 1.00 0.00 C ATOM 1103 CG ASN A 76 6.819 11.567 -8.054 1.00 0.00 C ATOM 1104 OD1 ASN A 76 7.046 12.670 -7.556 1.00 0.00 O ATOM 1105 ND2 ASN A 76 7.438 11.133 -9.146 1.00 0.00 N ATOM 0 H ASN A 76 6.363 8.257 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 76 6.776 11.040 -5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.750 9.715 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.816 11.090 -7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.133 11.721 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.219 10.212 -9.524 1.00 0.00 H new ATOM 1112 N LYS A 77 4.871 9.436 -4.081 1.00 0.00 N ATOM 1113 CA LYS A 77 3.699 9.301 -3.222 1.00 0.00 C ATOM 1114 C LYS A 77 4.084 8.790 -1.835 1.00 0.00 C ATOM 1115 O LYS A 77 3.991 7.594 -1.560 1.00 0.00 O ATOM 1116 CB LYS A 77 2.685 8.350 -3.858 1.00 0.00 C ATOM 1117 CG LYS A 77 1.976 8.933 -5.071 1.00 0.00 C ATOM 1118 CD LYS A 77 0.800 8.070 -5.497 1.00 0.00 C ATOM 1119 CE LYS A 77 0.089 8.653 -6.707 1.00 0.00 C ATOM 1120 NZ LYS A 77 -0.261 7.606 -7.706 1.00 0.00 N ATOM 0 H LYS A 77 5.682 8.896 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 77 3.251 10.289 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.195 7.433 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.941 8.074 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.626 9.939 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.681 9.023 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.151 7.065 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.096 7.978 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.818 9.163 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.726 9.403 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.744 8.046 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.607 7.136 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.890 6.904 -7.267 1.00 0.00 H new ATOM 1134 N PRO A 78 4.513 9.692 -0.935 1.00 0.00 N ATOM 1135 CA PRO A 78 4.902 9.320 0.429 1.00 0.00 C ATOM 1136 C PRO A 78 3.735 8.739 1.220 1.00 0.00 C ATOM 1137 O PRO A 78 2.578 9.079 0.974 1.00 0.00 O ATOM 1138 CB PRO A 78 5.363 10.644 1.052 1.00 0.00 C ATOM 1139 CG PRO A 78 4.732 11.703 0.217 1.00 0.00 C ATOM 1140 CD PRO A 78 4.649 11.139 -1.172 1.00 0.00 C ATOM 0 HA PRO A 78 5.670 8.546 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.048 10.722 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.450 10.728 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.742 11.959 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.325 12.617 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.796 11.540 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.540 11.370 -1.755 1.00 0.00 H new ATOM 1148 N GLY A 79 4.044 7.860 2.167 1.00 0.00 N ATOM 1149 CA GLY A 79 3.005 7.249 2.976 1.00 0.00 C ATOM 1150 C GLY A 79 3.566 6.391 4.093 1.00 0.00 C ATOM 1151 O GLY A 79 4.614 6.705 4.658 1.00 0.00 O ATOM 0 H GLY A 79 4.993 7.560 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.376 8.030 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.366 6.638 2.339 1.00 0.00 H new ATOM 1155 N PHE A 80 2.866 5.307 4.413 1.00 0.00 N ATOM 1156 CA PHE A 80 3.301 4.402 5.471 1.00 0.00 C ATOM 1157 C PHE A 80 2.731 3.003 5.259 1.00 0.00 C ATOM 1158 O PHE A 80 1.519 2.829 5.127 1.00 0.00 O ATOM 1159 CB PHE A 80 2.870 4.940 6.837 1.00 0.00 C ATOM 1160 CG PHE A 80 3.617 6.172 7.258 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.995 6.150 7.395 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.940 7.354 7.514 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.685 7.283 7.782 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.624 8.491 7.901 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.999 8.455 8.035 1.00 0.00 C ATOM 0 H PHE A 80 1.996 5.034 3.955 1.00 0.00 H new ATOM 0 HA PHE A 80 4.389 4.339 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.803 5.163 6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.015 4.163 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.537 5.237 7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.866 7.387 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.759 7.252 7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.085 9.406 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.536 9.342 8.337 1.00 0.00 H new ATOM 1175 N ILE A 81 3.613 2.009 5.227 1.00 0.00 N ATOM 1176 CA ILE A 81 3.198 0.626 5.031 1.00 0.00 C ATOM 1177 C ILE A 81 2.387 0.122 6.220 1.00 0.00 C ATOM 1178 O ILE A 81 2.614 0.533 7.358 1.00 0.00 O ATOM 1179 CB ILE A 81 4.413 -0.301 4.823 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.337 0.264 3.741 1.00 0.00 C ATOM 1181 CG2 ILE A 81 3.952 -1.703 4.454 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.805 0.185 4.101 1.00 0.00 C ATOM 0 H ILE A 81 4.619 2.136 5.334 1.00 0.00 H new ATOM 0 HA ILE A 81 2.577 0.606 4.136 1.00 0.00 H new ATOM 0 HB ILE A 81 4.972 -0.357 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.169 -0.279 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.072 1.305 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.821 -2.346 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.332 -2.105 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.373 -1.665 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.402 0.603 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.987 0.752 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.085 -0.856 4.259 1.00 0.00 H new ATOM 1194 N GLN A 82 1.440 -0.770 5.948 1.00 0.00 N ATOM 1195 CA GLN A 82 0.594 -1.330 6.997 1.00 0.00 C ATOM 1196 C GLN A 82 0.462 -2.841 6.839 1.00 0.00 C ATOM 1197 O GLN A 82 0.738 -3.598 7.770 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.790 -0.679 6.966 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.757 0.830 7.138 1.00 0.00 C ATOM 1200 CD GLN A 82 -1.045 1.261 8.563 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -2.134 1.027 9.087 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -0.066 1.895 9.198 1.00 0.00 N ATOM 0 H GLN A 82 1.239 -1.121 5.011 1.00 0.00 H new ATOM 0 HA GLN A 82 1.064 -1.123 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.273 -0.918 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.404 -1.113 7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.222 1.205 6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.489 1.284 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.821 2.068 8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.201 2.209 10.159 1.00 0.00 H new ATOM 1211 N PHE A 83 0.039 -3.273 5.656 1.00 0.00 N ATOM 1212 CA PHE A 83 -0.130 -4.695 5.378 1.00 0.00 C ATOM 1213 C PHE A 83 1.065 -5.246 4.608 1.00 0.00 C ATOM 1214 O PHE A 83 1.692 -4.534 3.823 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.417 -4.930 4.583 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.812 -6.376 4.492 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.566 -6.966 5.494 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.430 -7.145 3.405 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.932 -8.296 5.413 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.792 -8.476 3.318 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.545 -9.052 4.323 1.00 0.00 C ATOM 0 H PHE A 83 -0.193 -2.660 4.875 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.197 -5.220 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.228 -4.369 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.290 -4.533 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.871 -6.380 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.842 -6.699 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.520 -8.744 6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.487 -9.065 2.466 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.831 -10.091 4.257 1.00 0.00 H new ATOM 1231 N LEU A 84 1.376 -6.518 4.838 1.00 0.00 N ATOM 1232 CA LEU A 84 2.496 -7.166 4.166 1.00 0.00 C ATOM 1233 C LEU A 84 2.282 -8.673 4.082 1.00 0.00 C ATOM 1234 O LEU A 84 2.510 -9.398 5.050 1.00 0.00 O ATOM 1235 CB LEU A 84 3.802 -6.865 4.903 1.00 0.00 C ATOM 1236 CG LEU A 84 4.525 -5.595 4.450 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.678 -5.272 5.387 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.023 -5.748 3.021 1.00 0.00 C ATOM 0 H LEU A 84 0.867 -7.120 5.485 1.00 0.00 H new ATOM 0 HA LEU A 84 2.558 -6.769 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.589 -6.783 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.476 -7.713 4.777 1.00 0.00 H new ATOM 0 HG LEU A 84 3.818 -4.766 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.179 -4.366 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.295 -5.119 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.387 -6.100 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.535 -4.836 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.715 -6.589 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.177 -5.929 2.358 1.00 0.00 H new ATOM 1250 N GLY A 85 1.841 -9.140 2.918 1.00 0.00 N ATOM 1251 CA GLY A 85 1.604 -10.558 2.730 1.00 0.00 C ATOM 1252 C GLY A 85 0.802 -10.851 1.476 1.00 0.00 C ATOM 1253 O GLY A 85 0.942 -10.161 0.466 1.00 0.00 O ATOM 0 H GLY A 85 1.644 -8.561 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.560 -11.079 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.074 -10.953 3.597 1.00 0.00 H new ATOM 1257 N GLU A 86 -0.040 -11.877 1.540 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.868 -12.259 0.402 1.00 0.00 C ATOM 1259 C GLU A 86 -2.293 -11.745 0.569 1.00 0.00 C ATOM 1260 O GLU A 86 -2.908 -11.923 1.621 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.879 -13.781 0.240 1.00 0.00 C ATOM 1262 CG GLU A 86 0.396 -14.337 -0.374 1.00 0.00 C ATOM 1263 CD GLU A 86 0.449 -15.852 -0.333 1.00 0.00 C ATOM 1264 OE1 GLU A 86 -0.523 -16.492 -0.784 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.462 -16.397 0.152 1.00 0.00 O ATOM 0 H GLU A 86 -0.167 -12.459 2.368 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.440 -11.808 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.033 -14.241 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.727 -14.066 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.473 -14.002 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.257 -13.932 0.157 1.00 0.00 H new ATOM 1272 N THR A 87 -2.813 -11.106 -0.474 1.00 0.00 N ATOM 1273 CA THR A 87 -4.168 -10.567 -0.441 1.00 0.00 C ATOM 1274 C THR A 87 -5.188 -11.636 -0.819 1.00 0.00 C ATOM 1275 O THR A 87 -4.834 -12.795 -1.036 1.00 0.00 O ATOM 1276 CB THR A 87 -4.286 -9.372 -1.390 1.00 0.00 C ATOM 1277 OG1 THR A 87 -3.966 -9.751 -2.716 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.384 -8.218 -1.011 1.00 0.00 C ATOM 0 H THR A 87 -2.317 -10.949 -1.352 1.00 0.00 H new ATOM 0 HA THR A 87 -4.377 -10.236 0.576 1.00 0.00 H new ATOM 0 HB THR A 87 -5.322 -9.043 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.928 -10.728 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.516 -7.404 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.640 -7.870 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.345 -8.548 -1.026 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.454 -11.240 -0.893 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.525 -12.167 -1.243 1.00 0.00 C ATOM 1288 C GLN A 88 -8.033 -11.904 -2.656 1.00 0.00 C ATOM 1289 O GLN A 88 -8.457 -12.825 -3.356 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.677 -12.046 -0.244 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.230 -12.084 1.208 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.166 -13.494 1.762 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -8.873 -14.388 1.297 1.00 0.00 O ATOM 1294 NE2 GLN A 88 -7.317 -13.699 2.762 1.00 0.00 N ATOM 0 H GLN A 88 -6.764 -10.285 -0.716 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.123 -13.179 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.209 -11.113 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.385 -12.856 -0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.248 -11.619 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.917 -11.491 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.750 -12.928 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.231 -14.627 3.176 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.991 -10.642 -3.072 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.451 -10.261 -4.403 1.00 0.00 C ATOM 1305 C PHE A 89 -7.520 -10.807 -5.480 1.00 0.00 C ATOM 1306 O PHE A 89 -7.951 -11.104 -6.594 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.544 -8.738 -4.516 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.241 -8.034 -4.263 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.354 -7.797 -5.301 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.904 -7.611 -2.987 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.155 -7.150 -5.071 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.707 -6.963 -2.752 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.831 -6.733 -3.795 1.00 0.00 C ATOM 0 H PHE A 89 -7.644 -9.867 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.441 -10.691 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.900 -8.477 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.287 -8.374 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.603 -8.122 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.585 -7.790 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.472 -6.971 -5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.456 -6.636 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.894 -6.228 -3.613 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.241 -10.938 -5.141 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.251 -11.449 -6.082 1.00 0.00 C ATOM 1325 C ALA A 90 -4.087 -12.115 -5.350 1.00 0.00 C ATOM 1326 O ALA A 90 -3.683 -11.669 -4.277 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.742 -10.327 -6.974 1.00 0.00 C ATOM 0 H ALA A 90 -5.867 -10.698 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.734 -12.203 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.004 -10.723 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.575 -9.899 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.282 -9.554 -6.359 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.531 -13.197 -5.925 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.410 -13.921 -5.319 1.00 0.00 C ATOM 1335 C PRO A 91 -1.090 -13.172 -5.466 1.00 0.00 C ATOM 1336 O PRO A 91 -0.939 -12.328 -6.349 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.373 -15.229 -6.109 1.00 0.00 C ATOM 1338 CG PRO A 91 -2.921 -14.872 -7.448 1.00 0.00 C ATOM 1339 CD PRO A 91 -3.950 -13.799 -7.205 1.00 0.00 C ATOM 0 HA PRO A 91 -2.541 -14.056 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.357 -15.617 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.973 -16.001 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.132 -14.513 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.370 -15.741 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.959 -13.064 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.955 -14.215 -7.142 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.137 -13.487 -4.594 1.00 0.00 N ATOM 1348 CA GLY A 92 1.159 -12.834 -4.645 1.00 0.00 C ATOM 1349 C GLY A 92 1.468 -12.057 -3.381 1.00 0.00 C ATOM 1350 O GLY A 92 0.668 -12.038 -2.445 1.00 0.00 O ATOM 0 H GLY A 92 -0.239 -14.182 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.934 -13.584 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.188 -12.158 -5.499 1.00 0.00 H new ATOM 1354 N GLN A 93 2.632 -11.417 -3.353 1.00 0.00 N ATOM 1355 CA GLN A 93 3.046 -10.634 -2.193 1.00 0.00 C ATOM 1356 C GLN A 93 2.759 -9.152 -2.407 1.00 0.00 C ATOM 1357 O GLN A 93 3.418 -8.491 -3.209 1.00 0.00 O ATOM 1358 CB GLN A 93 4.537 -10.842 -1.918 1.00 0.00 C ATOM 1359 CG GLN A 93 4.855 -12.177 -1.265 1.00 0.00 C ATOM 1360 CD GLN A 93 5.547 -12.022 0.075 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.666 -12.497 0.268 1.00 0.00 O ATOM 1362 NE2 GLN A 93 4.882 -11.354 1.012 1.00 0.00 N ATOM 0 H GLN A 93 3.305 -11.425 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 93 2.473 -10.976 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.085 -10.767 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.895 -10.038 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.931 -12.740 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.489 -12.761 -1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.956 -10.977 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.297 -11.219 1.934 1.00 0.00 H new ATOM 1371 N TRP A 94 1.769 -8.636 -1.685 1.00 0.00 N ATOM 1372 CA TRP A 94 1.395 -7.231 -1.796 1.00 0.00 C ATOM 1373 C TRP A 94 1.911 -6.434 -0.603 1.00 0.00 C ATOM 1374 O TRP A 94 2.531 -6.987 0.305 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.126 -7.094 -1.895 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.686 -7.618 -3.182 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -0.869 -8.928 -3.523 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.134 -6.846 -4.301 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.404 -9.017 -4.785 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.576 -7.752 -5.284 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.205 -5.475 -4.568 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.081 -7.331 -6.511 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.707 -5.060 -5.787 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.140 -5.985 -6.745 1.00 0.00 C ATOM 0 H TRP A 94 1.212 -9.170 -1.018 1.00 0.00 H new ATOM 0 HA TRP A 94 1.850 -6.830 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.587 -7.627 -1.063 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.397 -6.043 -1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.628 -9.771 -2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.636 -9.883 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.874 -4.754 -3.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.414 -8.042 -7.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.766 -4.004 -6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.528 -5.628 -7.688 1.00 0.00 H new ATOM 1395 N ALA A 95 1.652 -5.130 -0.611 1.00 0.00 N ATOM 1396 CA ALA A 95 2.091 -4.256 0.469 1.00 0.00 C ATOM 1397 C ALA A 95 1.284 -2.964 0.494 1.00 0.00 C ATOM 1398 O ALA A 95 1.507 -2.064 -0.317 1.00 0.00 O ATOM 1399 CB ALA A 95 3.575 -3.951 0.330 1.00 0.00 C ATOM 0 H ALA A 95 1.140 -4.656 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 95 1.924 -4.775 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.890 -3.297 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.143 -4.880 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.757 -3.457 -0.624 1.00 0.00 H new ATOM 1405 N GLY A 96 0.344 -2.877 1.431 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.482 -1.689 1.544 1.00 0.00 C ATOM 1407 C GLY A 96 0.278 -0.509 2.116 1.00 0.00 C ATOM 1408 O GLY A 96 1.162 -0.680 2.956 1.00 0.00 O ATOM 0 H GLY A 96 0.140 -3.607 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.871 -1.425 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.341 -1.906 2.178 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.064 0.693 1.661 1.00 0.00 N ATOM 1413 CA ILE A 97 0.595 1.904 2.133 1.00 0.00 C ATOM 1414 C ILE A 97 -0.405 3.040 2.314 1.00 0.00 C ATOM 1415 O ILE A 97 -1.297 3.233 1.487 1.00 0.00 O ATOM 1416 CB ILE A 97 1.699 2.357 1.160 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.623 1.187 0.819 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.493 3.509 1.756 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.570 1.476 -0.324 1.00 0.00 C ATOM 0 H ILE A 97 -0.794 0.853 0.966 1.00 0.00 H new ATOM 0 HA ILE A 97 1.045 1.664 3.096 1.00 0.00 H new ATOM 0 HB ILE A 97 1.229 2.704 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.204 0.924 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.016 0.318 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.269 3.817 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.826 4.349 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.954 3.188 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.194 0.602 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.997 1.710 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.203 2.325 -0.066 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.248 3.791 3.399 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.136 4.910 3.688 1.00 0.00 C ATOM 1433 C VAL A 98 -0.495 6.236 3.294 1.00 0.00 C ATOM 1434 O VAL A 98 0.457 6.691 3.929 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.509 4.960 5.182 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.587 6.005 5.429 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.964 3.590 5.665 1.00 0.00 C ATOM 0 H VAL A 98 0.486 3.645 4.092 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.040 4.756 3.099 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.623 5.244 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.837 6.026 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.221 6.985 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.476 5.754 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.223 3.645 6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.837 3.274 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.158 2.869 5.526 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.022 6.850 2.240 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.502 8.124 1.758 1.00 0.00 C ATOM 1449 C LEU A 99 -0.858 9.254 2.719 1.00 0.00 C ATOM 1450 O LEU A 99 -1.633 9.065 3.655 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.054 8.431 0.365 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.014 7.261 -0.619 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.232 7.289 -1.531 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.267 7.297 -1.437 1.00 0.00 C ATOM 0 H LEU A 99 -1.809 6.486 1.703 1.00 0.00 H new ATOM 0 HA LEU A 99 0.584 8.047 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.086 8.766 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.489 9.261 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.033 6.331 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.187 6.449 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.138 7.215 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.245 8.223 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.279 6.457 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.316 8.231 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.127 7.228 -0.770 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.288 10.432 2.479 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.549 11.593 3.322 1.00 0.00 C ATOM 1468 C ASP A 100 -1.415 12.620 2.593 1.00 0.00 C ATOM 1469 O ASP A 100 -1.496 13.778 3.005 1.00 0.00 O ATOM 1470 CB ASP A 100 0.770 12.237 3.758 1.00 0.00 C ATOM 1471 CG ASP A 100 1.229 11.749 5.117 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.725 10.605 5.201 1.00 0.00 O ATOM 1473 OD2 ASP A 100 1.094 12.511 6.098 1.00 0.00 O ATOM 0 H ASP A 100 0.357 10.607 1.708 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.092 11.254 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.540 12.019 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.651 13.320 3.785 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.061 12.190 1.513 1.00 0.00 N ATOM 1479 CA GLU A 101 -2.919 13.075 0.732 1.00 0.00 C ATOM 1480 C GLU A 101 -4.067 12.293 0.099 1.00 0.00 C ATOM 1481 O GLU A 101 -3.975 11.080 -0.085 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.107 13.779 -0.358 1.00 0.00 C ATOM 1483 CG GLU A 101 -1.338 14.992 0.143 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.221 16.212 0.314 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -3.006 16.245 1.286 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -2.128 17.134 -0.523 1.00 0.00 O ATOM 0 H GLU A 101 -2.007 11.235 1.159 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.336 13.824 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.404 13.068 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.780 14.090 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.868 14.751 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.536 15.224 -0.558 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.170 12.980 -0.244 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.338 12.342 -0.858 1.00 0.00 C ATOM 1495 C PRO A 102 -6.104 11.989 -2.325 1.00 0.00 C ATOM 1496 O PRO A 102 -6.830 12.448 -3.208 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.425 13.410 -0.729 1.00 0.00 C ATOM 1498 CG PRO A 102 -6.684 14.702 -0.735 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.367 14.432 -0.058 1.00 0.00 C ATOM 0 HA PRO A 102 -6.589 11.396 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.134 13.356 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.997 13.285 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.532 15.059 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.243 15.474 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.559 15.007 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.397 14.700 0.998 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.085 11.175 -2.578 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.752 10.762 -3.937 1.00 0.00 C ATOM 1509 C ILE A 103 -4.857 9.247 -4.106 1.00 0.00 C ATOM 1510 O ILE A 103 -4.921 8.745 -5.228 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.332 11.212 -4.327 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.329 10.804 -3.246 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.296 12.716 -4.551 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -0.902 10.730 -3.744 1.00 0.00 C ATOM 0 H ILE A 103 -4.474 10.787 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.476 11.244 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.053 10.719 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.382 11.518 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.616 9.833 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.286 13.019 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.985 12.981 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.591 13.227 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.246 10.435 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.834 9.995 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.597 11.706 -4.120 1.00 0.00 H new ATOM 1526 N GLY A 104 -4.871 8.521 -2.989 1.00 0.00 N ATOM 1527 CA GLY A 104 -4.966 7.073 -3.048 1.00 0.00 C ATOM 1528 C GLY A 104 -6.158 6.597 -3.855 1.00 0.00 C ATOM 1529 O GLY A 104 -6.894 7.404 -4.424 1.00 0.00 O ATOM 0 H GLY A 104 -4.818 8.910 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.052 6.671 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.036 6.676 -2.035 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.349 5.282 -3.906 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.460 4.700 -4.650 1.00 0.00 C ATOM 1535 C LYS A 105 -8.345 3.858 -3.739 1.00 0.00 C ATOM 1536 O LYS A 105 -9.573 3.936 -3.803 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.933 3.843 -5.803 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.599 4.642 -7.052 1.00 0.00 C ATOM 1539 CD LYS A 105 -5.290 5.400 -6.895 1.00 0.00 C ATOM 1540 CE LYS A 105 -5.388 6.807 -7.463 1.00 0.00 C ATOM 1541 NZ LYS A 105 -5.751 6.800 -8.907 1.00 0.00 N ATOM 0 H LYS A 105 -5.749 4.600 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.060 5.515 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.040 3.312 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.678 3.088 -6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.531 3.970 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.405 5.345 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.022 5.451 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.491 4.857 -7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.134 7.373 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.435 7.319 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.708 7.770 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.083 6.198 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.715 6.428 -9.021 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.717 3.051 -2.890 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.450 2.193 -1.966 1.00 0.00 C ATOM 1557 C ASN A 106 -8.505 2.814 -0.574 1.00 0.00 C ATOM 1558 O ASN A 106 -7.855 3.825 -0.307 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.799 0.810 -1.894 1.00 0.00 C ATOM 1560 CG ASN A 106 -7.666 0.164 -3.258 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.464 -0.697 -3.630 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -6.654 0.574 -4.013 1.00 0.00 N ATOM 0 H ASN A 106 -6.702 2.973 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.469 2.088 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.812 0.899 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.392 0.165 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.514 0.173 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.016 1.290 -3.666 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.287 2.203 0.311 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.428 2.697 1.675 1.00 0.00 C ATOM 1571 C ASP A 107 -8.999 1.637 2.685 1.00 0.00 C ATOM 1572 O ASP A 107 -9.541 1.560 3.788 1.00 0.00 O ATOM 1573 CB ASP A 107 -10.876 3.113 1.942 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.361 4.172 0.971 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.989 4.101 -0.219 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.112 5.073 1.401 1.00 0.00 O ATOM 0 H ASP A 107 -9.832 1.365 0.107 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.780 3.566 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.521 2.237 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.961 3.492 2.961 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.022 0.821 2.301 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.537 -0.223 3.184 1.00 0.00 C ATOM 1583 C GLY A 108 -8.514 -1.376 3.311 1.00 0.00 C ATOM 1584 O GLY A 108 -8.575 -2.034 4.349 1.00 0.00 O ATOM 0 H GLY A 108 -7.558 0.865 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.584 -0.598 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.348 0.199 4.171 1.00 0.00 H new ATOM 1588 N SER A 109 -9.278 -1.621 2.252 1.00 0.00 N ATOM 1589 CA SER A 109 -10.256 -2.703 2.250 1.00 0.00 C ATOM 1590 C SER A 109 -10.595 -3.127 0.825 1.00 0.00 C ATOM 1591 O SER A 109 -10.763 -2.287 -0.060 1.00 0.00 O ATOM 1592 CB SER A 109 -11.528 -2.271 2.984 1.00 0.00 C ATOM 1593 OG SER A 109 -12.054 -3.332 3.761 1.00 0.00 O ATOM 0 H SER A 109 -9.239 -1.086 1.385 1.00 0.00 H new ATOM 0 HA SER A 109 -9.818 -3.556 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.309 -1.419 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.274 -1.941 2.261 1.00 0.00 H new ATOM 0 HG SER A 109 -12.865 -3.030 4.221 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.695 -4.433 0.608 1.00 0.00 N ATOM 1600 CA VAL A 110 -11.013 -4.969 -0.710 1.00 0.00 C ATOM 1601 C VAL A 110 -11.949 -6.168 -0.605 1.00 0.00 C ATOM 1602 O VAL A 110 -11.614 -7.176 0.017 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.740 -5.390 -1.468 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -10.071 -5.755 -2.906 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.697 -4.284 -1.416 1.00 0.00 C ATOM 0 H VAL A 110 -10.560 -5.142 1.329 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.509 -4.172 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.324 -6.272 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.159 -6.050 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.779 -6.584 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.512 -4.894 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.805 -4.600 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.100 -3.382 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.438 -4.077 -0.378 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.123 -6.051 -1.218 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.107 -7.127 -1.193 1.00 0.00 C ATOM 1617 C ALA A 111 -14.515 -7.466 0.236 1.00 0.00 C ATOM 1618 O ALA A 111 -14.691 -8.635 0.582 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.557 -8.360 -1.895 1.00 0.00 C ATOM 0 H ALA A 111 -13.415 -5.223 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.996 -6.786 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.301 -9.156 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.323 -8.115 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.652 -8.694 -1.388 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.663 -6.436 1.063 1.00 0.00 N ATOM 1626 CA GLY A 112 -15.049 -6.647 2.446 1.00 0.00 C ATOM 1627 C GLY A 112 -13.945 -7.283 3.268 1.00 0.00 C ATOM 1628 O GLY A 112 -14.212 -7.960 4.261 1.00 0.00 O ATOM 0 H GLY A 112 -14.523 -5.460 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.325 -5.692 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.934 -7.282 2.480 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.700 -7.066 2.854 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.552 -7.624 3.558 1.00 0.00 C ATOM 1634 C VAL A 113 -10.647 -6.518 4.093 1.00 0.00 C ATOM 1635 O VAL A 113 -9.848 -5.945 3.354 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.727 -8.550 2.646 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.641 -9.258 3.441 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.631 -9.556 1.949 1.00 0.00 C ATOM 0 H VAL A 113 -12.461 -6.508 2.034 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.945 -8.206 4.392 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.244 -7.940 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.070 -9.907 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.976 -8.519 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.098 -9.856 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.031 -10.202 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.145 -10.161 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.366 -9.026 1.343 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.780 -6.224 5.382 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.973 -5.187 6.016 1.00 0.00 C ATOM 1650 C ARG A 114 -8.538 -5.663 6.220 1.00 0.00 C ATOM 1651 O ARG A 114 -8.297 -6.672 6.881 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.587 -4.781 7.358 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.696 -3.277 7.547 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.923 -2.901 8.363 1.00 0.00 C ATOM 1655 NE ARG A 114 -11.663 -2.957 9.801 1.00 0.00 N ATOM 1656 CZ ARG A 114 -11.938 -4.009 10.571 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -12.472 -5.107 10.049 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -11.674 -3.964 11.869 1.00 0.00 N ATOM 0 H ARG A 114 -11.438 -6.688 6.008 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.957 -4.319 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.580 -5.222 7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.984 -5.197 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.800 -2.907 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.743 -2.790 6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.245 -1.895 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.743 -3.575 8.116 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.244 -2.138 10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.675 -5.150 9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.679 -5.907 10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.261 -3.125 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.884 -4.768 12.460 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.590 -4.928 5.649 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.178 -5.273 5.768 1.00 0.00 C ATOM 1674 C TYR A 115 -5.459 -4.307 6.705 1.00 0.00 C ATOM 1675 O TYR A 115 -4.563 -4.701 7.451 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.509 -5.260 4.393 1.00 0.00 C ATOM 1677 CG TYR A 115 -6.136 -6.219 3.405 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.808 -7.569 3.416 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -7.054 -5.773 2.462 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -6.378 -8.449 2.515 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -7.629 -6.646 1.559 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.288 -7.982 1.589 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.858 -8.855 0.691 1.00 0.00 O ATOM 0 H TYR A 115 -7.774 -4.089 5.099 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.110 -6.277 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.555 -4.250 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.454 -5.509 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.096 -7.937 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.322 -4.727 2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.113 -9.496 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.342 -6.284 0.833 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.477 -8.367 0.109 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.858 -3.039 6.658 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.250 -2.016 7.503 1.00 0.00 C ATOM 1695 C PHE A 116 -6.118 -0.763 7.550 1.00 0.00 C ATOM 1696 O PHE A 116 -6.488 -0.212 6.513 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.854 -1.664 6.989 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.848 -1.115 5.595 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.902 -1.967 4.505 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.783 0.251 5.375 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.892 -1.467 3.220 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.772 0.756 4.090 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.827 -0.105 3.013 1.00 0.00 C ATOM 0 H PHE A 116 -6.598 -2.696 6.045 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.167 -2.417 8.513 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.403 -0.933 7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.228 -2.556 7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.952 -3.034 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.741 0.927 6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.935 -2.141 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.720 1.823 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.819 0.288 2.007 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.439 -0.318 8.760 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.263 0.871 8.944 1.00 0.00 C ATOM 1715 C GLN A 117 -6.523 2.123 8.479 1.00 0.00 C ATOM 1716 O GLN A 117 -5.430 2.423 8.958 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.664 1.019 10.412 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.556 2.219 10.682 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.792 2.236 9.804 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -10.568 1.281 9.786 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.979 3.327 9.069 1.00 0.00 N ATOM 0 H GLN A 117 -6.141 -0.763 9.628 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.162 0.755 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.180 0.114 10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.763 1.103 11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.859 2.214 11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.987 3.134 10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.309 4.095 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.793 3.397 8.458 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.128 2.848 7.544 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.529 4.067 7.015 1.00 0.00 C ATOM 1732 C CYS A 118 -7.601 5.019 6.494 1.00 0.00 C ATOM 1733 O CYS A 118 -8.743 4.619 6.270 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.542 3.731 5.895 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.287 2.874 4.487 1.00 0.00 S ATOM 0 H CYS A 118 -8.033 2.612 7.137 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.994 4.560 7.826 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.081 4.654 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.743 3.111 6.303 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.540 1.865 4.148 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.224 6.279 6.303 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.155 7.288 5.810 1.00 0.00 C ATOM 1743 C GLU A 119 -8.461 7.070 4.330 1.00 0.00 C ATOM 1744 O GLU A 119 -7.633 6.539 3.588 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.581 8.690 6.021 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.774 9.218 7.434 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.484 9.727 8.049 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.655 8.891 8.466 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.305 10.961 8.112 1.00 0.00 O ATOM 0 H GLU A 119 -6.282 6.626 6.482 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.083 7.194 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.516 8.677 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.052 9.377 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.508 10.024 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.183 8.426 8.061 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.660 7.477 3.879 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.071 7.323 2.479 1.00 0.00 C ATOM 1758 C PRO A 120 -9.097 7.988 1.514 1.00 0.00 C ATOM 1759 O PRO A 120 -8.525 9.035 1.816 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.436 8.018 2.425 1.00 0.00 C ATOM 1761 CG PRO A 120 -11.929 8.006 3.831 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.706 8.118 4.695 1.00 0.00 C ATOM 0 HA PRO A 120 -10.101 6.276 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.346 9.036 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.122 7.491 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.613 8.835 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.476 7.088 4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.463 9.157 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.840 7.610 5.650 1.00 0.00 H new ATOM 1770 N LEU A 121 -8.913 7.373 0.349 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.008 7.907 -0.663 1.00 0.00 C ATOM 1772 C LEU A 121 -6.583 8.005 -0.124 1.00 0.00 C ATOM 1773 O LEU A 121 -5.838 8.919 -0.478 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.484 9.283 -1.129 1.00 0.00 C ATOM 1775 CG LEU A 121 -9.996 9.419 -1.312 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.402 10.884 -1.329 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.441 8.726 -2.590 1.00 0.00 C ATOM 0 H LEU A 121 -9.378 6.505 0.083 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.010 7.223 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.153 10.029 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.997 9.518 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.490 8.937 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.481 10.961 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.117 11.352 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.899 11.391 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.520 8.832 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -9.939 9.180 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.184 7.668 -2.539 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.211 7.059 0.732 1.00 0.00 N ATOM 1790 CA LYS A 122 -4.875 7.041 1.316 1.00 0.00 C ATOM 1791 C LYS A 122 -4.247 5.656 1.198 1.00 0.00 C ATOM 1792 O LYS A 122 -3.086 5.520 0.816 1.00 0.00 O ATOM 1793 CB LYS A 122 -4.933 7.464 2.786 1.00 0.00 C ATOM 1794 CG LYS A 122 -5.698 8.758 3.017 1.00 0.00 C ATOM 1795 CD LYS A 122 -4.866 9.771 3.787 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.101 11.185 3.281 1.00 0.00 C ATOM 1797 NZ LYS A 122 -4.588 12.209 4.234 1.00 0.00 N ATOM 0 H LYS A 122 -6.815 6.296 1.036 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.255 7.748 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.399 6.668 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.917 7.580 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.993 9.183 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.615 8.546 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.114 9.717 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.809 9.521 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.612 11.311 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.168 11.341 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.768 13.160 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.073 12.106 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.565 12.077 4.368 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.025 4.629 1.528 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.528 3.268 1.450 1.00 0.00 C ATOM 1813 C GLY A 123 -4.542 2.725 0.036 1.00 0.00 C ATOM 1814 O GLY A 123 -5.604 2.564 -0.564 1.00 0.00 O ATOM 0 H GLY A 123 -5.990 4.716 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.510 3.234 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.135 2.626 2.088 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.358 2.443 -0.500 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.237 1.916 -1.854 1.00 0.00 C ATOM 1820 C ILE A 124 -2.428 0.621 -1.867 1.00 0.00 C ATOM 1821 O ILE A 124 -1.494 0.452 -1.083 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.574 2.940 -2.798 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.547 2.406 -4.232 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.166 3.274 -2.322 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -2.638 3.490 -5.283 1.00 0.00 C ATOM 0 H ILE A 124 -2.469 2.571 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.247 1.712 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.165 3.856 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.627 1.841 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.375 1.710 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.715 3.998 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.212 3.697 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.563 2.366 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.613 3.038 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.571 4.040 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -1.796 4.174 -5.174 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.794 -0.289 -2.764 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.104 -1.569 -2.880 1.00 0.00 C ATOM 1839 C PHE A 125 -1.139 -1.562 -4.061 1.00 0.00 C ATOM 1840 O PHE A 125 -1.530 -1.274 -5.193 1.00 0.00 O ATOM 1841 CB PHE A 125 -3.116 -2.706 -3.039 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.593 -3.272 -1.731 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -4.541 -2.601 -0.976 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -3.093 -4.475 -1.259 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -4.982 -3.118 0.228 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.530 -4.998 -0.057 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.476 -4.319 0.687 1.00 0.00 C ATOM 0 H PHE A 125 -3.564 -0.164 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.531 -1.728 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.975 -2.341 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.664 -3.504 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.940 -1.663 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.354 -5.010 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -5.720 -2.584 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.133 -5.936 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.819 -4.727 1.626 1.00 0.00 H new ATOM 1857 N THR A 126 0.122 -1.881 -3.791 1.00 0.00 N ATOM 1858 CA THR A 126 1.144 -1.912 -4.831 1.00 0.00 C ATOM 1859 C THR A 126 2.313 -2.801 -4.418 1.00 0.00 C ATOM 1860 O THR A 126 2.564 -2.999 -3.230 1.00 0.00 O ATOM 1861 CB THR A 126 1.643 -0.498 -5.129 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.597 -0.514 -6.176 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.282 0.175 -3.935 1.00 0.00 C ATOM 0 H THR A 126 0.461 -2.122 -2.860 1.00 0.00 H new ATOM 0 HA THR A 126 0.696 -2.328 -5.733 1.00 0.00 H new ATOM 0 HB THR A 126 0.756 0.068 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.903 0.400 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.614 1.175 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.555 0.247 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.138 -0.411 -3.602 1.00 0.00 H new ATOM 1871 N ARG A 127 3.024 -3.334 -5.406 1.00 0.00 N ATOM 1872 CA ARG A 127 4.166 -4.202 -5.143 1.00 0.00 C ATOM 1873 C ARG A 127 5.277 -3.440 -4.422 1.00 0.00 C ATOM 1874 O ARG A 127 5.542 -2.278 -4.730 1.00 0.00 O ATOM 1875 CB ARG A 127 4.700 -4.789 -6.451 1.00 0.00 C ATOM 1876 CG ARG A 127 5.061 -3.737 -7.488 1.00 0.00 C ATOM 1877 CD ARG A 127 4.730 -4.203 -8.897 1.00 0.00 C ATOM 1878 NE ARG A 127 5.906 -4.207 -9.764 1.00 0.00 N ATOM 1879 CZ ARG A 127 5.981 -4.884 -10.907 1.00 0.00 C ATOM 1880 NH1 ARG A 127 4.953 -5.611 -11.325 1.00 0.00 N ATOM 1881 NH2 ARG A 127 7.088 -4.834 -11.635 1.00 0.00 N ATOM 0 H ARG A 127 2.830 -3.180 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 127 3.831 -5.015 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.582 -5.392 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 127 3.950 -5.459 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.522 -2.814 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.125 -3.508 -7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.306 -5.206 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.967 -3.552 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 127 6.717 -3.659 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.099 -5.653 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.017 -6.128 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.882 -4.277 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 127 7.146 -5.353 -12.511 1.00 0.00 H new ATOM 1895 N PRO A 128 5.944 -4.083 -3.446 1.00 0.00 N ATOM 1896 CA PRO A 128 7.029 -3.453 -2.685 1.00 0.00 C ATOM 1897 C PRO A 128 8.147 -2.937 -3.586 1.00 0.00 C ATOM 1898 O PRO A 128 8.704 -1.866 -3.350 1.00 0.00 O ATOM 1899 CB PRO A 128 7.549 -4.582 -1.790 1.00 0.00 C ATOM 1900 CG PRO A 128 6.422 -5.551 -1.696 1.00 0.00 C ATOM 1901 CD PRO A 128 5.697 -5.470 -3.008 1.00 0.00 C ATOM 0 HA PRO A 128 6.679 -2.581 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.436 -5.049 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.830 -4.207 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.790 -6.561 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.759 -5.300 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.083 -6.194 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.632 -5.672 -2.893 1.00 0.00 H new ATOM 1909 N SER A 129 8.472 -3.710 -4.618 1.00 0.00 N ATOM 1910 CA SER A 129 9.527 -3.338 -5.554 1.00 0.00 C ATOM 1911 C SER A 129 9.233 -1.990 -6.209 1.00 0.00 C ATOM 1912 O SER A 129 10.151 -1.267 -6.598 1.00 0.00 O ATOM 1913 CB SER A 129 9.686 -4.416 -6.630 1.00 0.00 C ATOM 1914 OG SER A 129 10.745 -5.302 -6.310 1.00 0.00 O ATOM 0 H SER A 129 8.019 -4.599 -4.827 1.00 0.00 H new ATOM 0 HA SER A 129 10.457 -3.251 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.756 -4.976 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 129 9.879 -3.946 -7.594 1.00 0.00 H new ATOM 0 HG SER A 129 10.826 -5.982 -7.011 1.00 0.00 H new ATOM 1920 N LYS A 130 7.952 -1.658 -6.328 1.00 0.00 N ATOM 1921 CA LYS A 130 7.545 -0.396 -6.937 1.00 0.00 C ATOM 1922 C LYS A 130 7.804 0.777 -5.994 1.00 0.00 C ATOM 1923 O LYS A 130 7.910 1.924 -6.431 1.00 0.00 O ATOM 1924 CB LYS A 130 6.063 -0.444 -7.315 1.00 0.00 C ATOM 1925 CG LYS A 130 5.815 -0.896 -8.745 1.00 0.00 C ATOM 1926 CD LYS A 130 5.780 0.284 -9.703 1.00 0.00 C ATOM 1927 CE LYS A 130 5.639 -0.174 -11.145 1.00 0.00 C ATOM 1928 NZ LYS A 130 6.882 -0.820 -11.649 1.00 0.00 N ATOM 0 H LYS A 130 7.179 -2.243 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 130 8.140 -0.249 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.544 -1.119 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.628 0.546 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.598 -1.590 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.871 -1.438 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.948 0.939 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.693 0.870 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 130 4.809 -0.876 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.394 0.681 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.800 -0.979 -12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.696 -0.201 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.020 -1.731 -11.167 1.00 0.00 H new ATOM 1942 N LEU A 131 7.903 0.485 -4.702 1.00 0.00 N ATOM 1943 CA LEU A 131 8.147 1.517 -3.700 1.00 0.00 C ATOM 1944 C LEU A 131 9.555 2.089 -3.834 1.00 0.00 C ATOM 1945 O LEU A 131 10.469 1.417 -4.312 1.00 0.00 O ATOM 1946 CB LEU A 131 7.947 0.946 -2.296 1.00 0.00 C ATOM 1947 CG LEU A 131 6.689 0.095 -2.119 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.547 -0.352 -0.672 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.457 0.869 -2.564 1.00 0.00 C ATOM 0 H LEU A 131 7.818 -0.458 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 131 7.433 2.324 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.816 0.341 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.912 1.772 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 131 6.782 -0.793 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.646 -0.956 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.417 -0.943 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.476 0.523 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.570 0.249 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.360 1.774 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.557 1.139 -3.615 1.00 0.00 H new ATOM 1961 N THR A 132 9.721 3.336 -3.404 1.00 0.00 N ATOM 1962 CA THR A 132 11.017 4.004 -3.471 1.00 0.00 C ATOM 1963 C THR A 132 11.254 4.850 -2.224 1.00 0.00 C ATOM 1964 O THR A 132 10.307 5.290 -1.571 1.00 0.00 O ATOM 1965 CB THR A 132 11.103 4.881 -4.725 1.00 0.00 C ATOM 1966 OG1 THR A 132 9.925 4.764 -5.504 1.00 0.00 O ATOM 1967 CG2 THR A 132 12.276 4.535 -5.616 1.00 0.00 C ATOM 0 H THR A 132 8.974 3.905 -3.005 1.00 0.00 H new ATOM 0 HA THR A 132 11.791 3.238 -3.523 1.00 0.00 H new ATOM 0 HB THR A 132 11.232 5.898 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.109 5.057 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 132 12.279 5.192 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 132 13.205 4.664 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 132 12.190 3.499 -5.945 1.00 0.00 H new ATOM 1975 N ARG A 133 12.523 5.074 -1.897 1.00 0.00 N ATOM 1976 CA ARG A 133 12.883 5.867 -0.727 1.00 0.00 C ATOM 1977 C ARG A 133 13.140 7.322 -1.111 1.00 0.00 C ATOM 1978 O ARG A 133 14.035 7.616 -1.902 1.00 0.00 O ATOM 1979 CB ARG A 133 14.120 5.277 -0.045 1.00 0.00 C ATOM 1980 CG ARG A 133 13.836 4.680 1.324 1.00 0.00 C ATOM 1981 CD ARG A 133 14.232 5.633 2.441 1.00 0.00 C ATOM 1982 NE ARG A 133 14.834 4.929 3.572 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.033 5.480 4.767 1.00 0.00 C ATOM 1984 NH1 ARG A 133 14.681 6.741 4.991 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.585 4.770 5.741 1.00 0.00 N ATOM 0 H ARG A 133 13.319 4.718 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 133 12.046 5.839 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.545 4.505 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.874 6.057 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.775 4.443 1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.381 3.743 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 133 14.936 6.370 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.352 6.180 2.781 1.00 0.00 H new ATOM 0 HE ARG A 133 15.118 3.959 3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.256 7.292 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.836 7.158 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.857 3.801 5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.737 5.193 6.657 1.00 0.00 H new ATOM 1999 N LYS A 134 12.349 8.227 -0.544 1.00 0.00 N ATOM 2000 CA LYS A 134 12.491 9.651 -0.826 1.00 0.00 C ATOM 2001 C LYS A 134 12.277 9.939 -2.308 1.00 0.00 C ATOM 2002 O LYS A 134 12.417 9.050 -3.150 1.00 0.00 O ATOM 2003 CB LYS A 134 13.875 10.140 -0.394 1.00 0.00 C ATOM 2004 CG LYS A 134 14.177 9.894 1.074 1.00 0.00 C ATOM 2005 CD LYS A 134 13.274 10.724 1.975 1.00 0.00 C ATOM 2006 CE LYS A 134 13.664 12.193 1.955 1.00 0.00 C ATOM 2007 NZ LYS A 134 12.697 13.015 1.176 1.00 0.00 N ATOM 0 H LYS A 134 11.603 8.000 0.113 1.00 0.00 H new ATOM 0 HA LYS A 134 11.729 10.186 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.632 9.643 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.954 11.208 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.046 8.836 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.220 10.138 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.239 10.617 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.330 10.346 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.718 12.568 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.660 12.298 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.104 13.955 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.497 12.548 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.814 13.116 1.716 1.00 0.00 H new