USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.421 F(o=-1.7,f=-0.42) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.54) USER MOD Single : A 87 THR OG1 : rot 172:sc= 0.749 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.203 F(o=-1,f=-0.2) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.413 F(o=-1.9,f=-0.41) USER MOD Single : A 105 LYS NZ :NH3+ 155:sc= -0.212 (180deg=-0.936) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.573 F(o=-1.5,f=-0.57) USER MOD Single : A 109 SER OG : rot 180:sc= -0.801 USER MOD Single : A 115 TYR OH : rot -15:sc= -0.0636 USER MOD Single : A 117 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.14) USER MOD Single : A 118 CYS SG : rot -138:sc= -0.346 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot -150:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.103 -5.117 2.800 1.00 0.00 N ATOM 916 CA PHE A 65 9.913 -3.944 3.645 1.00 0.00 C ATOM 917 C PHE A 65 9.310 -4.335 4.989 1.00 0.00 C ATOM 918 O PHE A 65 9.079 -5.514 5.259 1.00 0.00 O ATOM 919 CB PHE A 65 9.012 -2.925 2.945 1.00 0.00 C ATOM 920 CG PHE A 65 9.658 -2.267 1.759 1.00 0.00 C ATOM 921 CD1 PHE A 65 9.878 -2.976 0.590 1.00 0.00 C ATOM 922 CD2 PHE A 65 10.044 -0.937 1.815 1.00 0.00 C ATOM 923 CE1 PHE A 65 10.472 -2.373 -0.502 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.639 -0.327 0.726 1.00 0.00 C ATOM 925 CZ PHE A 65 10.853 -1.046 -0.434 1.00 0.00 C ATOM 0 HA PHE A 65 10.889 -3.493 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.098 -3.423 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.720 -2.157 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.582 -4.013 0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.878 -0.371 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.638 -2.938 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.936 0.710 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.317 -0.572 -1.286 1.00 0.00 H new ATOM 935 N ARG A 66 9.054 -3.338 5.831 1.00 0.00 N ATOM 936 CA ARG A 66 8.477 -3.578 7.148 1.00 0.00 C ATOM 937 C ARG A 66 7.303 -2.639 7.407 1.00 0.00 C ATOM 938 O ARG A 66 7.149 -1.621 6.732 1.00 0.00 O ATOM 939 CB ARG A 66 9.540 -3.400 8.235 1.00 0.00 C ATOM 940 CG ARG A 66 9.478 -4.456 9.325 1.00 0.00 C ATOM 941 CD ARG A 66 10.779 -4.529 10.108 1.00 0.00 C ATOM 942 NE ARG A 66 10.965 -5.833 10.740 1.00 0.00 N ATOM 943 CZ ARG A 66 11.887 -6.082 11.666 1.00 0.00 C ATOM 944 NH1 ARG A 66 12.709 -5.122 12.072 1.00 0.00 N ATOM 945 NH2 ARG A 66 11.989 -7.296 12.190 1.00 0.00 N ATOM 0 H ARG A 66 9.237 -2.356 5.624 1.00 0.00 H new ATOM 0 HA ARG A 66 8.110 -4.604 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.527 -3.424 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.423 -2.415 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.656 -4.231 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.266 -5.428 8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.616 -4.327 9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.787 -3.752 10.872 1.00 0.00 H new ATOM 0 HE ARG A 66 10.352 -6.597 10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.636 -4.186 11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.413 -5.320 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.361 -8.038 11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.696 -7.487 12.900 1.00 0.00 H new ATOM 959 N VAL A 67 6.478 -2.986 8.390 1.00 0.00 N ATOM 960 CA VAL A 67 5.319 -2.174 8.738 1.00 0.00 C ATOM 961 C VAL A 67 5.694 -1.085 9.738 1.00 0.00 C ATOM 962 O VAL A 67 6.113 -1.376 10.858 1.00 0.00 O ATOM 963 CB VAL A 67 4.186 -3.032 9.332 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.924 -2.202 9.509 1.00 0.00 C ATOM 965 CG2 VAL A 67 3.917 -4.247 8.454 1.00 0.00 C ATOM 0 H VAL A 67 6.591 -3.825 8.959 1.00 0.00 H new ATOM 0 HA VAL A 67 4.967 -1.713 7.815 1.00 0.00 H new ATOM 0 HB VAL A 67 4.500 -3.386 10.314 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.135 -2.825 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.127 -1.370 10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.604 -1.815 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.114 -4.840 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.625 -3.918 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.820 -4.854 8.386 1.00 0.00 H new ATOM 975 N GLY A 68 5.542 0.169 9.325 1.00 0.00 N ATOM 976 CA GLY A 68 5.869 1.282 10.196 1.00 0.00 C ATOM 977 C GLY A 68 6.996 2.133 9.647 1.00 0.00 C ATOM 978 O GLY A 68 7.819 2.651 10.403 1.00 0.00 O ATOM 0 H GLY A 68 5.198 0.434 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.984 1.902 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.150 0.901 11.178 1.00 0.00 H new ATOM 982 N GLU A 69 7.036 2.279 8.326 1.00 0.00 N ATOM 983 CA GLU A 69 8.070 3.074 7.675 1.00 0.00 C ATOM 984 C GLU A 69 7.471 3.959 6.588 1.00 0.00 C ATOM 985 O GLU A 69 6.278 3.877 6.294 1.00 0.00 O ATOM 986 CB GLU A 69 9.140 2.161 7.073 1.00 0.00 C ATOM 987 CG GLU A 69 9.896 1.344 8.109 1.00 0.00 C ATOM 988 CD GLU A 69 11.316 1.834 8.315 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.539 3.061 8.239 1.00 0.00 O ATOM 990 OE2 GLU A 69 12.207 0.990 8.553 1.00 0.00 O ATOM 0 H GLU A 69 6.364 1.857 7.686 1.00 0.00 H new ATOM 0 HA GLU A 69 8.530 3.714 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.669 1.483 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.851 2.768 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.361 1.383 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.918 0.300 7.798 1.00 0.00 H new ATOM 997 N ARG A 70 8.306 4.804 5.993 1.00 0.00 N ATOM 998 CA ARG A 70 7.858 5.704 4.936 1.00 0.00 C ATOM 999 C ARG A 70 8.437 5.290 3.587 1.00 0.00 C ATOM 1000 O ARG A 70 9.644 5.086 3.455 1.00 0.00 O ATOM 1001 CB ARG A 70 8.262 7.144 5.258 1.00 0.00 C ATOM 1002 CG ARG A 70 7.540 8.181 4.412 1.00 0.00 C ATOM 1003 CD ARG A 70 7.042 9.346 5.254 1.00 0.00 C ATOM 1004 NE ARG A 70 7.902 10.519 5.128 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.786 11.608 5.885 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.849 11.676 6.824 1.00 0.00 N ATOM 1007 NH2 ARG A 70 8.609 12.632 5.705 1.00 0.00 N ATOM 0 H ARG A 70 9.296 4.885 6.224 1.00 0.00 H new ATOM 0 HA ARG A 70 6.771 5.644 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.061 7.342 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.337 7.252 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.213 8.552 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.697 7.713 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.028 9.606 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.993 9.043 6.300 1.00 0.00 H new ATOM 0 HE ARG A 70 8.635 10.503 4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.214 10.891 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.765 12.513 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.331 12.586 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.520 13.466 6.285 1.00 0.00 H new ATOM 1021 N VAL A 71 7.568 5.169 2.589 1.00 0.00 N ATOM 1022 CA VAL A 71 7.992 4.780 1.250 1.00 0.00 C ATOM 1023 C VAL A 71 7.263 5.591 0.186 1.00 0.00 C ATOM 1024 O VAL A 71 6.224 6.194 0.455 1.00 0.00 O ATOM 1025 CB VAL A 71 7.745 3.281 0.995 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.738 2.435 1.778 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.315 2.907 1.353 1.00 0.00 C ATOM 0 H VAL A 71 6.566 5.335 2.683 1.00 0.00 H new ATOM 0 HA VAL A 71 9.062 4.980 1.187 1.00 0.00 H new ATOM 0 HB VAL A 71 7.893 3.083 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.548 1.379 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.753 2.684 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.626 2.635 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.159 1.844 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.136 3.120 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.623 3.488 0.743 1.00 0.00 H new ATOM 1037 N TRP A 72 7.813 5.603 -1.024 1.00 0.00 N ATOM 1038 CA TRP A 72 7.214 6.343 -2.128 1.00 0.00 C ATOM 1039 C TRP A 72 6.695 5.394 -3.203 1.00 0.00 C ATOM 1040 O TRP A 72 7.474 4.764 -3.918 1.00 0.00 O ATOM 1041 CB TRP A 72 8.235 7.308 -2.736 1.00 0.00 C ATOM 1042 CG TRP A 72 8.268 8.641 -2.054 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.897 9.843 -2.585 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.697 8.910 -0.715 1.00 0.00 C ATOM 1045 NE1 TRP A 72 8.068 10.841 -1.659 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.558 10.294 -0.501 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.183 8.114 0.325 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.890 10.898 0.709 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.512 8.714 1.527 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.363 10.096 1.709 1.00 0.00 C ATOM 0 H TRP A 72 8.672 5.109 -1.264 1.00 0.00 H new ATOM 0 HA TRP A 72 6.372 6.913 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.226 6.857 -2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.004 7.453 -3.791 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.523 9.987 -3.588 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.864 11.829 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.300 7.049 0.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.778 11.963 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.889 8.109 2.338 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.628 10.536 2.659 1.00 0.00 H new ATOM 1061 N VAL A 73 5.374 5.298 -3.312 1.00 0.00 N ATOM 1062 CA VAL A 73 4.753 4.427 -4.302 1.00 0.00 C ATOM 1063 C VAL A 73 5.077 4.894 -5.717 1.00 0.00 C ATOM 1064 O VAL A 73 4.820 6.043 -6.076 1.00 0.00 O ATOM 1065 CB VAL A 73 3.222 4.376 -4.127 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.617 3.306 -5.023 1.00 0.00 C ATOM 1067 CG2 VAL A 73 2.860 4.130 -2.671 1.00 0.00 C ATOM 0 H VAL A 73 4.714 5.812 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 73 5.160 3.428 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 73 2.808 5.340 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.536 3.285 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.846 3.531 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.035 2.334 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.776 4.097 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.285 3.180 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.260 4.936 -2.056 1.00 0.00 H new ATOM 1077 N ASN A 74 5.644 3.997 -6.516 1.00 0.00 N ATOM 1078 CA ASN A 74 6.007 4.320 -7.891 1.00 0.00 C ATOM 1079 C ASN A 74 7.057 5.429 -7.935 1.00 0.00 C ATOM 1080 O ASN A 74 7.219 6.102 -8.954 1.00 0.00 O ATOM 1081 CB ASN A 74 4.767 4.739 -8.684 1.00 0.00 C ATOM 1082 CG ASN A 74 4.545 3.876 -9.910 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.843 2.866 -9.856 1.00 0.00 O ATOM 1084 ND2 ASN A 74 5.145 4.271 -11.027 1.00 0.00 N ATOM 0 H ASN A 74 5.862 3.041 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 74 6.434 3.426 -8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.890 4.681 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.870 5.780 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.033 3.731 -11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.718 5.115 -11.027 1.00 0.00 H new ATOM 1091 N GLY A 75 7.768 5.614 -6.826 1.00 0.00 N ATOM 1092 CA GLY A 75 8.792 6.641 -6.763 1.00 0.00 C ATOM 1093 C GLY A 75 8.229 8.040 -6.922 1.00 0.00 C ATOM 1094 O GLY A 75 8.848 8.895 -7.557 1.00 0.00 O ATOM 0 H GLY A 75 7.653 5.071 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.314 6.570 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.531 6.460 -7.544 1.00 0.00 H new ATOM 1098 N ASN A 76 7.055 8.277 -6.345 1.00 0.00 N ATOM 1099 CA ASN A 76 6.414 9.586 -6.427 1.00 0.00 C ATOM 1100 C ASN A 76 5.094 9.599 -5.661 1.00 0.00 C ATOM 1101 O ASN A 76 4.105 10.172 -6.119 1.00 0.00 O ATOM 1102 CB ASN A 76 6.173 9.969 -7.889 1.00 0.00 C ATOM 1103 CG ASN A 76 5.333 8.943 -8.625 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.941 8.266 -9.591 1.00 0.00 O flip ATOM 1105 ND2 ASN A 76 4.152 8.762 -8.328 1.00 0.00 N flip ATOM 0 H ASN A 76 6.529 7.581 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 76 7.082 10.317 -5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.676 10.938 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.132 10.080 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.726 9.306 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.600 8.068 -8.832 1.00 0.00 H new ATOM 1112 N LYS A 77 5.084 8.965 -4.493 1.00 0.00 N ATOM 1113 CA LYS A 77 3.884 8.908 -3.666 1.00 0.00 C ATOM 1114 C LYS A 77 4.221 8.431 -2.254 1.00 0.00 C ATOM 1115 O LYS A 77 4.187 7.233 -1.972 1.00 0.00 O ATOM 1116 CB LYS A 77 2.847 7.977 -4.296 1.00 0.00 C ATOM 1117 CG LYS A 77 1.915 8.677 -5.271 1.00 0.00 C ATOM 1118 CD LYS A 77 0.599 7.929 -5.418 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.233 8.484 -6.563 1.00 0.00 C ATOM 1120 NZ LYS A 77 -1.028 7.422 -7.238 1.00 0.00 N ATOM 0 H LYS A 77 5.892 8.484 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 77 3.468 9.913 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.363 7.170 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.254 7.519 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.721 9.692 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.399 8.759 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.798 6.871 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.034 7.999 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.905 9.254 -6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.423 8.963 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.581 7.842 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.386 6.700 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.673 6.982 -6.551 1.00 0.00 H new ATOM 1134 N PRO A 78 4.549 9.365 -1.344 1.00 0.00 N ATOM 1135 CA PRO A 78 4.891 9.030 0.043 1.00 0.00 C ATOM 1136 C PRO A 78 3.714 8.424 0.799 1.00 0.00 C ATOM 1137 O PRO A 78 2.555 8.655 0.452 1.00 0.00 O ATOM 1138 CB PRO A 78 5.285 10.376 0.657 1.00 0.00 C ATOM 1139 CG PRO A 78 4.634 11.399 -0.207 1.00 0.00 C ATOM 1140 CD PRO A 78 4.613 10.816 -1.592 1.00 0.00 C ATOM 0 HA PRO A 78 5.681 8.280 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.942 10.455 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.368 10.502 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.624 11.618 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.188 12.337 -0.187 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.753 11.165 -2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.504 11.089 -2.158 1.00 0.00 H new ATOM 1148 N GLY A 79 4.018 7.647 1.833 1.00 0.00 N ATOM 1149 CA GLY A 79 2.975 7.020 2.622 1.00 0.00 C ATOM 1150 C GLY A 79 3.533 6.155 3.735 1.00 0.00 C ATOM 1151 O GLY A 79 4.749 6.043 3.894 1.00 0.00 O ATOM 0 H GLY A 79 4.969 7.440 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.335 7.791 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.348 6.410 1.971 1.00 0.00 H new ATOM 1155 N PHE A 80 2.643 5.540 4.508 1.00 0.00 N ATOM 1156 CA PHE A 80 3.054 4.680 5.612 1.00 0.00 C ATOM 1157 C PHE A 80 2.624 3.237 5.366 1.00 0.00 C ATOM 1158 O PHE A 80 1.470 2.971 5.031 1.00 0.00 O ATOM 1159 CB PHE A 80 2.458 5.186 6.927 1.00 0.00 C ATOM 1160 CG PHE A 80 3.135 6.417 7.460 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.285 6.315 8.225 1.00 0.00 C ATOM 1162 CD2 PHE A 80 2.619 7.675 7.194 1.00 0.00 C ATOM 1163 CE1 PHE A 80 4.909 7.446 8.716 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.239 8.810 7.682 1.00 0.00 C ATOM 1165 CZ PHE A 80 4.385 8.695 8.445 1.00 0.00 C ATOM 0 H PHE A 80 1.633 5.621 4.390 1.00 0.00 H new ATOM 0 HA PHE A 80 4.142 4.709 5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.399 5.399 6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.522 4.394 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.699 5.341 8.440 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.723 7.770 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.806 7.353 9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.828 9.785 7.467 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.870 9.580 8.829 1.00 0.00 H new ATOM 1175 N ILE A 81 3.561 2.310 5.534 1.00 0.00 N ATOM 1176 CA ILE A 81 3.280 0.894 5.330 1.00 0.00 C ATOM 1177 C ILE A 81 2.486 0.319 6.498 1.00 0.00 C ATOM 1178 O ILE A 81 2.854 0.495 7.659 1.00 0.00 O ATOM 1179 CB ILE A 81 4.577 0.081 5.155 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.483 0.741 4.115 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.256 -1.350 4.754 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.903 0.216 4.130 1.00 0.00 C ATOM 0 H ILE A 81 4.521 2.514 5.811 1.00 0.00 H new ATOM 0 HA ILE A 81 2.688 0.817 4.418 1.00 0.00 H new ATOM 0 HB ILE A 81 5.105 0.060 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.057 0.586 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.500 1.817 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.183 -1.911 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.647 -1.817 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.708 -1.350 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.489 0.729 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.347 0.395 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.897 -0.854 3.925 1.00 0.00 H new ATOM 1194 N GLN A 82 1.395 -0.372 6.182 1.00 0.00 N ATOM 1195 CA GLN A 82 0.548 -0.975 7.206 1.00 0.00 C ATOM 1196 C GLN A 82 0.438 -2.483 7.002 1.00 0.00 C ATOM 1197 O GLN A 82 0.509 -3.254 7.958 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.844 -0.344 7.182 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.836 1.160 7.408 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.786 1.527 8.878 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.481 0.933 9.703 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.038 2.513 9.215 1.00 0.00 N ATOM 0 H GLN A 82 1.077 -0.528 5.226 1.00 0.00 H new ATOM 0 HA GLN A 82 1.007 -0.790 8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.313 -0.556 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.460 -0.815 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.024 1.596 6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.728 1.596 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.596 2.978 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.113 2.805 10.190 1.00 0.00 H new ATOM 1211 N PHE A 83 0.265 -2.895 5.751 1.00 0.00 N ATOM 1212 CA PHE A 83 0.145 -4.310 5.422 1.00 0.00 C ATOM 1213 C PHE A 83 1.317 -4.771 4.559 1.00 0.00 C ATOM 1214 O PHE A 83 1.841 -4.007 3.749 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.173 -4.577 4.695 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.461 -6.037 4.489 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.150 -6.762 5.447 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.042 -6.683 3.337 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.417 -8.106 5.260 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -1.305 -8.026 3.144 1.00 0.00 C ATOM 1221 CZ PHE A 83 -1.993 -8.738 4.108 1.00 0.00 C ATOM 0 H PHE A 83 0.205 -2.269 4.948 1.00 0.00 H new ATOM 0 HA PHE A 83 0.159 -4.875 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.989 -4.131 5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.151 -4.079 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.483 -6.272 6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.504 -6.131 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.956 -8.660 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.973 -8.518 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.199 -9.788 3.960 1.00 0.00 H new ATOM 1231 N LEU A 84 1.720 -6.024 4.739 1.00 0.00 N ATOM 1232 CA LEU A 84 2.829 -6.588 3.977 1.00 0.00 C ATOM 1233 C LEU A 84 2.644 -8.089 3.778 1.00 0.00 C ATOM 1234 O LEU A 84 2.717 -8.864 4.732 1.00 0.00 O ATOM 1235 CB LEU A 84 4.156 -6.310 4.687 1.00 0.00 C ATOM 1236 CG LEU A 84 4.937 -5.109 4.154 1.00 0.00 C ATOM 1237 CD1 LEU A 84 6.120 -4.796 5.057 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.405 -5.368 2.730 1.00 0.00 C ATOM 0 H LEU A 84 1.296 -6.669 5.406 1.00 0.00 H new ATOM 0 HA LEU A 84 2.845 -6.112 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.957 -6.153 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.785 -7.197 4.609 1.00 0.00 H new ATOM 0 HG LEU A 84 4.274 -4.244 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.663 -3.938 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.761 -4.566 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.785 -5.659 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.959 -4.503 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.051 -6.246 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.541 -5.541 2.089 1.00 0.00 H new ATOM 1250 N GLY A 85 2.407 -8.492 2.535 1.00 0.00 N ATOM 1251 CA GLY A 85 2.217 -9.899 2.234 1.00 0.00 C ATOM 1252 C GLY A 85 1.290 -10.121 1.056 1.00 0.00 C ATOM 1253 O GLY A 85 1.175 -9.267 0.177 1.00 0.00 O ATOM 0 H GLY A 85 2.343 -7.869 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.184 -10.356 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.812 -10.403 3.111 1.00 0.00 H new ATOM 1257 N GLU A 86 0.626 -11.273 1.036 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.296 -11.607 -0.043 1.00 0.00 C ATOM 1259 C GLU A 86 -1.723 -11.207 0.317 1.00 0.00 C ATOM 1260 O GLU A 86 -2.122 -11.270 1.479 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.235 -13.105 -0.348 1.00 0.00 C ATOM 1262 CG GLU A 86 1.106 -13.560 -0.899 1.00 0.00 C ATOM 1263 CD GLU A 86 1.103 -15.019 -1.308 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.284 -15.391 -2.176 1.00 0.00 O ATOM 1265 OE2 GLU A 86 1.918 -15.791 -0.762 1.00 0.00 O ATOM 0 H GLU A 86 0.710 -11.991 1.756 1.00 0.00 H new ATOM 0 HA GLU A 86 0.005 -11.050 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.452 -13.662 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.016 -13.353 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.368 -12.946 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.878 -13.399 -0.146 1.00 0.00 H new ATOM 1272 N THR A 87 -2.488 -10.796 -0.689 1.00 0.00 N ATOM 1273 CA THR A 87 -3.872 -10.386 -0.479 1.00 0.00 C ATOM 1274 C THR A 87 -4.836 -11.490 -0.900 1.00 0.00 C ATOM 1275 O THR A 87 -4.416 -12.568 -1.321 1.00 0.00 O ATOM 1276 CB THR A 87 -4.172 -9.107 -1.261 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.070 -9.335 -2.655 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.247 -7.962 -0.913 1.00 0.00 C ATOM 0 H THR A 87 -2.173 -10.738 -1.657 1.00 0.00 H new ATOM 0 HA THR A 87 -4.010 -10.194 0.585 1.00 0.00 H new ATOM 0 HB THR A 87 -5.188 -8.829 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.383 -8.543 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.515 -7.086 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.341 -7.728 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.218 -8.246 -1.132 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.131 -11.214 -0.784 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.156 -12.183 -1.153 1.00 0.00 C ATOM 1288 C GLN A 88 -7.867 -11.762 -2.434 1.00 0.00 C ATOM 1289 O GLN A 88 -8.272 -12.603 -3.237 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.172 -12.339 -0.020 1.00 0.00 C ATOM 1291 CG GLN A 88 -7.754 -13.346 1.039 1.00 0.00 C ATOM 1292 CD GLN A 88 -6.508 -12.919 1.788 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -6.636 -11.882 2.608 1.00 0.00 O flip ATOM 1294 NE2 GLN A 88 -5.441 -13.514 1.633 1.00 0.00 N flip ATOM 0 H GLN A 88 -6.495 -10.327 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.667 -13.141 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.327 -11.370 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.130 -12.644 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.571 -13.483 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.577 -14.312 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.387 -14.306 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.611 -13.215 2.145 1.00 0.00 H new ATOM 1303 N PHE A 89 -8.016 -10.454 -2.619 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.678 -9.920 -3.803 1.00 0.00 C ATOM 1305 C PHE A 89 -7.907 -10.283 -5.068 1.00 0.00 C ATOM 1306 O PHE A 89 -8.499 -10.521 -6.121 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.816 -8.401 -3.695 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.501 -7.686 -3.566 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.756 -7.370 -4.692 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -7.011 -7.329 -2.321 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.547 -6.713 -4.577 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.800 -6.671 -2.200 1.00 0.00 C ATOM 1313 CZ PHE A 89 -5.068 -6.363 -3.329 1.00 0.00 C ATOM 0 H PHE A 89 -7.687 -9.745 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.671 -10.365 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.338 -8.028 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.437 -8.161 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.126 -7.641 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.580 -7.567 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.976 -6.473 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.428 -6.399 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.122 -5.849 -3.237 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.584 -10.325 -4.957 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.733 -10.659 -6.092 1.00 0.00 C ATOM 1325 C ALA A 90 -4.512 -11.462 -5.646 1.00 0.00 C ATOM 1326 O ALA A 90 -3.938 -11.196 -4.590 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.298 -9.392 -6.813 1.00 0.00 C ATOM 0 H ALA A 90 -6.078 -10.132 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.310 -11.277 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.663 -9.655 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.177 -8.857 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.742 -8.755 -6.125 1.00 0.00 H new ATOM 1333 N PRO A 91 -4.097 -12.459 -6.448 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.940 -13.298 -6.127 1.00 0.00 C ATOM 1335 C PRO A 91 -1.618 -12.572 -6.349 1.00 0.00 C ATOM 1336 O PRO A 91 -1.456 -11.842 -7.327 1.00 0.00 O ATOM 1337 CB PRO A 91 -3.076 -14.469 -7.101 1.00 0.00 C ATOM 1338 CG PRO A 91 -3.791 -13.897 -8.275 1.00 0.00 C ATOM 1339 CD PRO A 91 -4.723 -12.847 -7.728 1.00 0.00 C ATOM 0 HA PRO A 91 -2.928 -13.595 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.101 -14.865 -7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.637 -15.291 -6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.088 -13.462 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.345 -14.670 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.811 -11.997 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.728 -13.241 -7.579 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.674 -12.776 -5.435 1.00 0.00 N ATOM 1348 CA GLY A 92 0.621 -12.133 -5.550 1.00 0.00 C ATOM 1349 C GLY A 92 1.021 -11.401 -4.283 1.00 0.00 C ATOM 1350 O GLY A 92 0.284 -11.406 -3.298 1.00 0.00 O ATOM 0 H GLY A 92 -0.784 -13.375 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.376 -12.883 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.601 -11.429 -6.382 1.00 0.00 H new ATOM 1354 N GLN A 93 2.191 -10.771 -4.310 1.00 0.00 N ATOM 1355 CA GLN A 93 2.687 -10.031 -3.156 1.00 0.00 C ATOM 1356 C GLN A 93 2.317 -8.555 -3.256 1.00 0.00 C ATOM 1357 O GLN A 93 2.633 -7.890 -4.243 1.00 0.00 O ATOM 1358 CB GLN A 93 4.206 -10.185 -3.042 1.00 0.00 C ATOM 1359 CG GLN A 93 4.636 -11.209 -2.006 1.00 0.00 C ATOM 1360 CD GLN A 93 5.150 -10.569 -0.731 1.00 0.00 C ATOM 1361 OE1 GLN A 93 4.267 -9.881 -0.016 1.00 0.00 O flip ATOM 1362 NE2 GLN A 93 6.327 -10.690 -0.392 1.00 0.00 N flip ATOM 0 H GLN A 93 2.813 -10.758 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 93 2.219 -10.442 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.608 -10.472 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.643 -9.219 -2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.792 -11.856 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.415 -11.843 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.972 -11.228 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.658 -10.253 0.468 1.00 0.00 H new ATOM 1371 N TRP A 94 1.647 -8.048 -2.227 1.00 0.00 N ATOM 1372 CA TRP A 94 1.234 -6.650 -2.196 1.00 0.00 C ATOM 1373 C TRP A 94 1.685 -5.978 -0.904 1.00 0.00 C ATOM 1374 O TRP A 94 2.082 -6.649 0.050 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.286 -6.541 -2.337 1.00 0.00 C ATOM 1376 CG TRP A 94 -0.797 -7.031 -3.657 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.040 -8.328 -4.012 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.127 -6.233 -4.800 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.502 -8.384 -5.305 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.565 -7.111 -5.810 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.097 -4.861 -5.067 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -1.967 -6.661 -7.065 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.497 -4.416 -6.313 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -1.928 -5.314 -7.298 1.00 0.00 C ATOM 0 H TRP A 94 1.378 -8.585 -1.403 1.00 0.00 H new ATOM 0 HA TRP A 94 1.707 -6.139 -3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.760 -7.111 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.582 -5.500 -2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.891 -9.184 -3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.757 -9.234 -5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.767 -4.161 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.298 -7.351 -7.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.477 -3.358 -6.531 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.236 -4.935 -8.261 1.00 0.00 H new ATOM 1395 N ALA A 95 1.623 -4.651 -0.878 1.00 0.00 N ATOM 1396 CA ALA A 95 2.025 -3.890 0.298 1.00 0.00 C ATOM 1397 C ALA A 95 1.127 -2.674 0.498 1.00 0.00 C ATOM 1398 O ALA A 95 1.210 -1.698 -0.247 1.00 0.00 O ATOM 1399 CB ALA A 95 3.479 -3.460 0.175 1.00 0.00 C ATOM 0 H ALA A 95 1.298 -4.080 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 95 1.920 -4.534 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.767 -2.892 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.113 -4.342 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.600 -2.837 -0.711 1.00 0.00 H new ATOM 1405 N GLY A 96 0.267 -2.740 1.510 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.634 -1.638 1.789 1.00 0.00 C ATOM 1407 C GLY A 96 0.082 -0.436 2.374 1.00 0.00 C ATOM 1408 O GLY A 96 0.865 -0.569 3.315 1.00 0.00 O ATOM 0 H GLY A 96 0.179 -3.537 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.139 -1.344 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.406 -1.971 2.483 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.185 0.740 1.815 1.00 0.00 N ATOM 1413 CA ILE A 97 0.440 1.969 2.286 1.00 0.00 C ATOM 1414 C ILE A 97 -0.600 3.061 2.513 1.00 0.00 C ATOM 1415 O ILE A 97 -1.658 3.065 1.883 1.00 0.00 O ATOM 1416 CB ILE A 97 1.497 2.482 1.290 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.465 1.359 0.911 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.255 3.662 1.882 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.092 1.539 -0.454 1.00 0.00 C ATOM 0 H ILE A 97 -0.830 0.867 1.035 1.00 0.00 H new ATOM 0 HA ILE A 97 0.929 1.732 3.231 1.00 0.00 H new ATOM 0 HB ILE A 97 0.987 2.817 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.255 1.302 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.933 0.408 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.998 4.013 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.556 4.468 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.754 3.351 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.766 0.707 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.310 1.566 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.652 2.474 -0.477 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.291 3.986 3.415 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.198 5.084 3.724 1.00 0.00 C ATOM 1433 C VAL A 98 -0.611 6.421 3.285 1.00 0.00 C ATOM 1434 O VAL A 98 0.355 6.909 3.871 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.515 5.145 5.230 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.609 6.163 5.507 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.912 3.770 5.746 1.00 0.00 C ATOM 0 H VAL A 98 0.581 3.997 3.945 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.120 4.896 3.174 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.616 5.462 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.818 6.191 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.281 7.148 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.513 5.881 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.133 3.831 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.796 3.422 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.092 3.070 5.585 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.200 7.009 2.249 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.736 8.290 1.730 1.00 0.00 C ATOM 1449 C LEU A 99 -1.039 9.418 2.709 1.00 0.00 C ATOM 1450 O LEU A 99 -1.831 9.253 3.637 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.389 8.583 0.378 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.326 7.438 -0.634 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.419 7.588 -1.680 1.00 0.00 C ATOM 1454 CD2 LEU A 99 0.044 7.387 -1.296 1.00 0.00 C ATOM 0 H LEU A 99 -2.000 6.618 1.752 1.00 0.00 H new ATOM 0 HA LEU A 99 0.344 8.229 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.434 8.842 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.909 9.459 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.487 6.500 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.358 6.764 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.394 7.575 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.290 8.533 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.071 6.567 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.233 8.328 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.810 7.230 -0.536 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.403 10.566 2.496 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.605 11.723 3.360 1.00 0.00 C ATOM 1468 C ASP A 100 -1.560 12.723 2.716 1.00 0.00 C ATOM 1469 O ASP A 100 -1.444 13.931 2.924 1.00 0.00 O ATOM 1470 CB ASP A 100 0.734 12.400 3.661 1.00 0.00 C ATOM 1471 CG ASP A 100 1.377 11.872 4.929 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.066 10.728 5.320 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.192 12.603 5.530 1.00 0.00 O ATOM 0 H ASP A 100 0.256 10.719 1.733 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.047 11.376 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.412 12.246 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.581 13.475 3.755 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.504 12.211 1.933 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.481 13.059 1.258 1.00 0.00 C ATOM 1480 C GLU A 101 -4.606 12.220 0.656 1.00 0.00 C ATOM 1481 O GLU A 101 -4.409 11.052 0.322 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.799 13.886 0.166 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.650 15.356 0.521 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.107 16.182 -0.630 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -2.917 16.660 -1.451 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -0.872 16.350 -0.709 1.00 0.00 O ATOM 0 H GLU A 101 -2.613 11.214 1.750 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.914 13.734 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.813 13.467 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.374 13.800 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.619 15.753 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.985 15.453 1.379 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.805 12.808 0.508 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.963 12.111 -0.057 1.00 0.00 C ATOM 1495 C PRO A 102 -6.839 11.907 -1.565 1.00 0.00 C ATOM 1496 O PRO A 102 -7.663 12.395 -2.338 1.00 0.00 O ATOM 1497 CB PRO A 102 -8.128 13.049 0.262 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.511 14.403 0.331 1.00 0.00 C ATOM 1499 CD PRO A 102 -6.126 14.201 0.881 1.00 0.00 C ATOM 0 HA PRO A 102 -7.078 11.109 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.897 13.003 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.605 12.782 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.475 14.866 -0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.093 15.064 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.416 14.906 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.099 14.343 1.961 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.802 11.182 -1.976 1.00 0.00 N ATOM 1508 CA ILE A 103 -5.571 10.915 -3.391 1.00 0.00 C ATOM 1509 C ILE A 103 -5.384 9.423 -3.650 1.00 0.00 C ATOM 1510 O ILE A 103 -4.801 9.028 -4.659 1.00 0.00 O ATOM 1511 CB ILE A 103 -4.333 11.670 -3.910 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -3.104 11.327 -3.065 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -4.587 13.170 -3.904 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.867 11.040 -3.887 1.00 0.00 C ATOM 0 H ILE A 103 -5.110 10.770 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 103 -6.455 11.265 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.140 11.358 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.896 12.155 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -3.329 10.458 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.703 13.690 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.437 13.398 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.803 13.498 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.035 10.805 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.056 10.192 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.617 11.916 -4.486 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.883 8.596 -2.735 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.759 7.160 -2.891 1.00 0.00 C ATOM 1528 C GLY A 104 -6.914 6.560 -3.666 1.00 0.00 C ATOM 1529 O GLY A 104 -7.763 7.283 -4.187 1.00 0.00 O ATOM 0 H GLY A 104 -6.370 8.896 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.824 6.933 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.704 6.694 -1.907 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.945 5.235 -3.745 1.00 0.00 N ATOM 1534 CA LYS A 105 -8.004 4.537 -4.463 1.00 0.00 C ATOM 1535 C LYS A 105 -8.764 3.592 -3.538 1.00 0.00 C ATOM 1536 O LYS A 105 -9.980 3.440 -3.654 1.00 0.00 O ATOM 1537 CB LYS A 105 -7.418 3.756 -5.640 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.596 4.611 -6.589 1.00 0.00 C ATOM 1539 CD LYS A 105 -7.480 5.517 -7.430 1.00 0.00 C ATOM 1540 CE LYS A 105 -6.714 6.111 -8.601 1.00 0.00 C ATOM 1541 NZ LYS A 105 -6.074 5.058 -9.438 1.00 0.00 N ATOM 0 H LYS A 105 -6.249 4.622 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.704 5.283 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.792 2.951 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.231 3.290 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.892 5.216 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.007 3.968 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.334 4.951 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.876 6.320 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.393 6.701 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.949 6.792 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.937 5.418 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.152 4.803 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.685 4.217 -9.465 1.00 0.00 H new ATOM 1555 N ASN A 106 -8.040 2.959 -2.621 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.649 2.029 -1.677 1.00 0.00 C ATOM 1557 C ASN A 106 -8.756 2.652 -0.289 1.00 0.00 C ATOM 1558 O ASN A 106 -8.225 3.735 -0.041 1.00 0.00 O ATOM 1559 CB ASN A 106 -7.833 0.736 -1.606 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.007 -0.126 -2.841 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.579 -1.311 -2.660 1.00 0.00 O flip ATOM 1562 ND2 ASN A 106 -7.631 0.269 -3.945 1.00 0.00 N flip ATOM 0 H ASN A 106 -7.032 3.073 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.654 1.799 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.778 0.982 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.133 0.168 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.196 1.187 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.754 -0.322 -4.767 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.446 1.961 0.612 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.623 2.446 1.976 1.00 0.00 C ATOM 1571 C ASP A 107 -9.241 1.372 2.989 1.00 0.00 C ATOM 1572 O ASP A 107 -9.796 1.314 4.086 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.072 2.882 2.200 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.498 3.984 1.250 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -11.187 3.882 0.044 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.142 4.950 1.712 1.00 0.00 O ATOM 0 H ASP A 107 -9.892 1.063 0.422 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.966 3.304 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.731 2.023 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.190 3.226 3.227 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.290 0.523 2.613 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.850 -0.538 3.500 1.00 0.00 C ATOM 1583 C GLY A 108 -8.841 -1.683 3.572 1.00 0.00 C ATOM 1584 O GLY A 108 -8.948 -2.356 4.596 1.00 0.00 O ATOM 0 H GLY A 108 -7.816 0.551 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.887 -0.917 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.696 -0.131 4.500 1.00 0.00 H new ATOM 1588 N SER A 109 -9.569 -1.902 2.482 1.00 0.00 N ATOM 1589 CA SER A 109 -10.558 -2.973 2.426 1.00 0.00 C ATOM 1590 C SER A 109 -10.887 -3.333 0.980 1.00 0.00 C ATOM 1591 O SER A 109 -11.190 -2.461 0.166 1.00 0.00 O ATOM 1592 CB SER A 109 -11.832 -2.558 3.163 1.00 0.00 C ATOM 1593 OG SER A 109 -11.793 -2.969 4.519 1.00 0.00 O ATOM 0 H SER A 109 -9.493 -1.353 1.626 1.00 0.00 H new ATOM 0 HA SER A 109 -10.135 -3.851 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.950 -1.476 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.700 -2.997 2.671 1.00 0.00 H new ATOM 0 HG SER A 109 -12.618 -2.691 4.969 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.826 -4.623 0.669 1.00 0.00 N ATOM 1600 CA VAL A 110 -11.119 -5.099 -0.678 1.00 0.00 C ATOM 1601 C VAL A 110 -12.013 -6.334 -0.643 1.00 0.00 C ATOM 1602 O VAL A 110 -11.668 -7.345 -0.030 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.828 -5.438 -1.448 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -10.139 -5.746 -2.904 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.827 -4.297 -1.338 1.00 0.00 C ATOM 0 H VAL A 110 -10.576 -5.358 1.331 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.639 -4.290 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.382 -6.327 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.215 -5.983 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.817 -6.598 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.609 -4.878 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.921 -4.553 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.262 -3.390 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.580 -4.129 -0.290 1.00 0.00 H new ATOM 1615 N ALA A 111 -13.163 -6.244 -1.303 1.00 0.00 N ATOM 1616 CA ALA A 111 -14.108 -7.355 -1.347 1.00 0.00 C ATOM 1617 C ALA A 111 -14.556 -7.752 0.055 1.00 0.00 C ATOM 1618 O ALA A 111 -14.797 -8.926 0.331 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.489 -8.545 -2.061 1.00 0.00 C ATOM 0 H ALA A 111 -13.463 -5.414 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.988 -7.029 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.205 -9.367 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.226 -8.261 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.592 -8.862 -1.529 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.664 -6.763 0.938 1.00 0.00 N ATOM 1626 CA GLY A 112 -15.083 -7.031 2.301 1.00 0.00 C ATOM 1627 C GLY A 112 -13.996 -7.697 3.122 1.00 0.00 C ATOM 1628 O GLY A 112 -14.285 -8.437 4.063 1.00 0.00 O ATOM 0 H GLY A 112 -14.469 -5.783 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.373 -6.095 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.966 -7.669 2.287 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.743 -7.437 2.764 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.609 -8.017 3.473 1.00 0.00 C ATOM 1634 C VAL A 113 -10.637 -6.936 3.930 1.00 0.00 C ATOM 1635 O VAL A 113 -9.824 -6.445 3.145 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.856 -9.032 2.594 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.806 -9.771 3.409 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.829 -10.010 1.953 1.00 0.00 C ATOM 0 H VAL A 113 -12.487 -6.828 1.987 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.011 -8.533 4.345 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.347 -8.487 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.285 -10.484 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.090 -9.056 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.290 -10.304 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.278 -10.719 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.369 -10.549 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.538 -9.463 1.332 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.724 -6.567 5.203 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.852 -5.543 5.766 1.00 0.00 C ATOM 1650 C ARG A 114 -8.447 -6.091 5.996 1.00 0.00 C ATOM 1651 O ARG A 114 -8.259 -7.047 6.748 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.430 -5.018 7.082 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.216 -3.528 7.288 1.00 0.00 C ATOM 1654 CD ARG A 114 -11.031 -3.004 8.459 1.00 0.00 C ATOM 1655 NE ARG A 114 -10.636 -3.621 9.723 1.00 0.00 N ATOM 1656 CZ ARG A 114 -11.137 -3.275 10.907 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -12.052 -2.318 10.993 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -10.722 -3.888 12.007 1.00 0.00 N ATOM 0 H ARG A 114 -11.391 -6.963 5.866 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.789 -4.722 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.499 -5.231 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.975 -5.560 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.158 -3.332 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.494 -2.991 6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -10.909 -1.923 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.089 -3.194 8.278 1.00 0.00 H new ATOM 0 HE ARG A 114 -9.935 -4.361 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.375 -1.844 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.433 -2.057 11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -10.019 -4.625 11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.106 -3.623 12.914 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.465 -5.479 5.343 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.077 -5.905 5.477 1.00 0.00 C ATOM 1674 C TYR A 115 -5.329 -5.019 6.469 1.00 0.00 C ATOM 1675 O TYR A 115 -4.463 -5.489 7.206 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.377 -5.871 4.117 1.00 0.00 C ATOM 1677 CG TYR A 115 -6.024 -6.760 3.080 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -7.098 -6.310 2.322 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -5.561 -8.051 2.858 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -7.692 -7.120 1.373 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -6.149 -8.867 1.910 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.215 -8.397 1.172 1.00 0.00 C ATOM 1683 OH TYR A 115 -7.803 -9.207 0.228 1.00 0.00 O ATOM 0 H TYR A 115 -7.605 -4.687 4.716 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.072 -6.927 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.367 -4.845 3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.338 -6.174 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.475 -5.310 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.728 -8.423 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.526 -6.754 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.776 -9.867 1.748 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.670 -8.831 -0.032 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.671 -3.735 6.480 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.033 -2.783 7.382 1.00 0.00 C ATOM 1695 C PHE A 116 -5.895 -1.537 7.557 1.00 0.00 C ATOM 1696 O PHE A 116 -6.257 -0.878 6.583 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.653 -2.391 6.850 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.697 -1.690 5.527 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.762 -2.417 4.351 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.668 -0.308 5.459 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.797 -1.777 3.129 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.705 0.337 4.239 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.769 -0.399 3.074 1.00 0.00 C ATOM 0 H PHE A 116 -6.386 -3.330 5.875 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.918 -3.263 8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.162 -1.745 7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.041 -3.288 6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.786 -3.496 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.616 0.271 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.846 -2.354 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.684 1.416 4.197 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.797 0.104 2.119 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.221 -1.220 8.806 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.043 -0.053 9.109 1.00 0.00 C ATOM 1715 C GLN A 117 -6.325 1.233 8.717 1.00 0.00 C ATOM 1716 O GLN A 117 -5.217 1.505 9.180 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.392 -0.023 10.599 1.00 0.00 C ATOM 1718 CG GLN A 117 -8.795 0.486 10.884 1.00 0.00 C ATOM 1719 CD GLN A 117 -8.998 1.920 10.435 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -8.679 2.861 11.161 1.00 0.00 O ATOM 1721 NE2 GLN A 117 -9.533 2.093 9.232 1.00 0.00 N ATOM 0 H GLN A 117 -5.929 -1.754 9.624 1.00 0.00 H new ATOM 0 HA GLN A 117 -7.963 -0.126 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.289 -1.028 11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.672 0.609 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.519 -0.154 10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.994 0.412 11.953 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.782 1.284 8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.694 3.035 8.876 1.00 0.00 H new ATOM 1730 N CYS A 118 -6.962 2.023 7.858 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.384 3.281 7.402 1.00 0.00 C ATOM 1732 C CYS A 118 -7.475 4.299 7.087 1.00 0.00 C ATOM 1733 O CYS A 118 -8.665 4.013 7.227 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.516 3.049 6.165 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.418 2.389 4.743 1.00 0.00 S ATOM 0 H CYS A 118 -7.879 1.813 7.464 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.762 3.678 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.049 3.992 5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.711 2.360 6.423 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.702 1.472 4.163 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.064 5.489 6.660 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.007 6.549 6.325 1.00 0.00 C ATOM 1743 C GLU A 119 -8.489 6.414 4.882 1.00 0.00 C ATOM 1744 O GLU A 119 -7.769 5.902 4.025 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.361 7.920 6.535 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.238 8.315 7.997 1.00 0.00 C ATOM 1747 CD GLU A 119 -7.285 9.817 8.201 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -8.317 10.430 7.859 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.289 10.379 8.704 1.00 0.00 O ATOM 0 H GLU A 119 -6.084 5.743 6.538 1.00 0.00 H new ATOM 0 HA GLU A 119 -8.869 6.457 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.369 7.919 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.949 8.674 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.044 7.850 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.301 7.927 8.397 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.720 6.872 4.592 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.294 6.797 3.243 1.00 0.00 C ATOM 1758 C PRO A 120 -9.472 7.565 2.214 1.00 0.00 C ATOM 1759 O PRO A 120 -8.883 8.601 2.522 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.677 7.443 3.399 1.00 0.00 C ATOM 1761 CG PRO A 120 -11.975 7.376 4.856 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.650 7.491 5.552 1.00 0.00 C ATOM 0 HA PRO A 120 -10.324 5.770 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.673 8.474 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.429 6.909 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.645 8.182 5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.470 6.439 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.389 8.530 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.650 6.969 6.509 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.445 7.053 0.988 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.706 7.692 -0.094 1.00 0.00 C ATOM 1772 C LEU A 121 -7.223 7.821 0.244 1.00 0.00 C ATOM 1773 O LEU A 121 -6.556 8.753 -0.205 1.00 0.00 O ATOM 1774 CB LEU A 121 -9.293 9.073 -0.389 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.813 9.107 -0.566 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -11.381 10.419 -0.048 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -11.183 8.903 -2.028 1.00 0.00 C ATOM 0 H LEU A 121 -9.928 6.196 0.719 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.799 7.062 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.022 9.747 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.828 9.462 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 121 -11.247 8.293 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -12.463 10.425 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -11.146 10.524 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.942 11.249 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -12.267 8.930 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.739 9.696 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.809 7.937 -2.367 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.711 6.882 1.033 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.306 6.896 1.421 1.00 0.00 C ATOM 1791 C LYS A 122 -4.683 5.513 1.267 1.00 0.00 C ATOM 1792 O LYS A 122 -3.589 5.370 0.721 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.154 7.381 2.864 1.00 0.00 C ATOM 1794 CG LYS A 122 -4.929 8.880 2.980 1.00 0.00 C ATOM 1795 CD LYS A 122 -6.134 9.582 3.586 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.794 11.002 4.010 1.00 0.00 C ATOM 1797 NZ LYS A 122 -5.104 11.038 5.329 1.00 0.00 N ATOM 0 H LYS A 122 -7.247 6.103 1.415 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.782 7.585 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.049 7.111 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.317 6.859 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.049 9.070 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.724 9.295 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.948 9.602 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.489 9.018 4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.158 11.464 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.708 11.594 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.890 12.024 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.721 10.621 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.219 10.495 5.273 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.389 4.493 1.748 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.888 3.136 1.649 1.00 0.00 C ATOM 1813 C GLY A 123 -4.836 2.642 0.217 1.00 0.00 C ATOM 1814 O GLY A 123 -5.823 2.733 -0.513 1.00 0.00 O ATOM 0 H GLY A 123 -6.297 4.583 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.890 3.088 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.524 2.473 2.236 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.683 2.121 -0.187 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.507 1.613 -1.543 1.00 0.00 C ATOM 1820 C ILE A 124 -2.589 0.395 -1.559 1.00 0.00 C ATOM 1821 O ILE A 124 -1.652 0.301 -0.766 1.00 0.00 O ATOM 1822 CB ILE A 124 -2.931 2.697 -2.478 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -2.854 2.178 -3.915 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.558 3.143 -1.994 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.196 3.224 -4.954 1.00 0.00 C ATOM 0 H ILE A 124 -2.856 2.039 0.405 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.493 1.322 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.597 3.559 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -1.848 1.805 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.534 1.333 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.166 3.908 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.642 3.552 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.881 2.289 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.121 2.786 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.213 3.581 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.501 4.060 -4.872 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.865 -0.535 -2.468 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.063 -1.748 -2.588 1.00 0.00 C ATOM 1839 C PHE A 125 -1.083 -1.639 -3.751 1.00 0.00 C ATOM 1840 O PHE A 125 -1.462 -1.271 -4.863 1.00 0.00 O ATOM 1841 CB PHE A 125 -2.968 -2.965 -2.780 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.616 -3.438 -1.509 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -2.961 -4.325 -0.669 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.880 -2.994 -1.155 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.556 -4.759 0.500 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.480 -3.426 0.012 1.00 0.00 C ATOM 1847 CZ PHE A 125 -4.816 -4.310 0.841 1.00 0.00 C ATOM 0 H PHE A 125 -3.637 -0.472 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.493 -1.870 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.744 -2.720 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.382 -3.780 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.975 -4.681 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.402 -2.302 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.035 -5.449 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.466 -3.074 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.282 -4.649 1.754 1.00 0.00 H new ATOM 1857 N THR A 126 0.178 -1.961 -3.488 1.00 0.00 N ATOM 1858 CA THR A 126 1.214 -1.899 -4.513 1.00 0.00 C ATOM 1859 C THR A 126 2.346 -2.873 -4.201 1.00 0.00 C ATOM 1860 O THR A 126 2.573 -3.226 -3.045 1.00 0.00 O ATOM 1861 CB THR A 126 1.765 -0.477 -4.626 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.712 -0.388 -5.675 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.436 0.005 -3.358 1.00 0.00 C ATOM 0 H THR A 126 0.508 -2.268 -2.573 1.00 0.00 H new ATOM 0 HA THR A 126 0.766 -2.183 -5.465 1.00 0.00 H new ATOM 0 HB THR A 126 0.899 0.155 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.373 0.303 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.805 1.020 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.716 -0.005 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.271 -0.653 -3.115 1.00 0.00 H new ATOM 1871 N ARG A 127 3.055 -3.302 -5.240 1.00 0.00 N ATOM 1872 CA ARG A 127 4.164 -4.234 -5.075 1.00 0.00 C ATOM 1873 C ARG A 127 5.317 -3.579 -4.315 1.00 0.00 C ATOM 1874 O ARG A 127 5.657 -2.423 -4.569 1.00 0.00 O ATOM 1875 CB ARG A 127 4.652 -4.725 -6.439 1.00 0.00 C ATOM 1876 CG ARG A 127 3.546 -5.294 -7.313 1.00 0.00 C ATOM 1877 CD ARG A 127 4.106 -5.948 -8.566 1.00 0.00 C ATOM 1878 NE ARG A 127 4.486 -4.964 -9.577 1.00 0.00 N ATOM 1879 CZ ARG A 127 4.662 -5.252 -10.864 1.00 0.00 C ATOM 1880 NH1 ARG A 127 4.494 -6.493 -11.303 1.00 0.00 N ATOM 1881 NH2 ARG A 127 5.007 -4.296 -11.716 1.00 0.00 N ATOM 0 H ARG A 127 2.881 -3.019 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 127 3.807 -5.086 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.129 -3.898 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.415 -5.489 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.972 -6.026 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.857 -4.498 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.975 -6.550 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.362 -6.627 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 127 4.625 -3.999 -9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.228 -7.232 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.630 -6.707 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.137 -3.340 -11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.142 -4.517 -12.703 1.00 0.00 H new ATOM 1895 N PRO A 128 5.938 -4.308 -3.369 1.00 0.00 N ATOM 1896 CA PRO A 128 7.057 -3.782 -2.579 1.00 0.00 C ATOM 1897 C PRO A 128 8.208 -3.305 -3.457 1.00 0.00 C ATOM 1898 O PRO A 128 8.837 -2.284 -3.175 1.00 0.00 O ATOM 1899 CB PRO A 128 7.499 -4.977 -1.729 1.00 0.00 C ATOM 1900 CG PRO A 128 6.315 -5.880 -1.686 1.00 0.00 C ATOM 1901 CD PRO A 128 5.604 -5.694 -2.997 1.00 0.00 C ATOM 0 HA PRO A 128 6.761 -2.913 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.361 -5.478 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.791 -4.662 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 128 6.620 -6.918 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 128 5.663 -5.629 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.949 -6.406 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.528 -5.835 -2.895 1.00 0.00 H new ATOM 1909 N SER A 129 8.482 -4.053 -4.522 1.00 0.00 N ATOM 1910 CA SER A 129 9.560 -3.711 -5.442 1.00 0.00 C ATOM 1911 C SER A 129 9.323 -2.348 -6.088 1.00 0.00 C ATOM 1912 O SER A 129 10.269 -1.667 -6.483 1.00 0.00 O ATOM 1913 CB SER A 129 9.692 -4.784 -6.524 1.00 0.00 C ATOM 1914 OG SER A 129 8.445 -5.035 -7.148 1.00 0.00 O ATOM 0 H SER A 129 7.971 -4.901 -4.769 1.00 0.00 H new ATOM 0 HA SER A 129 10.486 -3.661 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 129 10.418 -4.464 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 129 10.073 -5.705 -6.083 1.00 0.00 H new ATOM 0 HG SER A 129 8.556 -5.723 -7.837 1.00 0.00 H new ATOM 1920 N LYS A 130 8.058 -1.956 -6.192 1.00 0.00 N ATOM 1921 CA LYS A 130 7.703 -0.674 -6.791 1.00 0.00 C ATOM 1922 C LYS A 130 8.009 0.480 -5.841 1.00 0.00 C ATOM 1923 O LYS A 130 8.190 1.620 -6.272 1.00 0.00 O ATOM 1924 CB LYS A 130 6.222 -0.657 -7.173 1.00 0.00 C ATOM 1925 CG LYS A 130 5.950 -1.174 -8.577 1.00 0.00 C ATOM 1926 CD LYS A 130 5.747 -0.033 -9.561 1.00 0.00 C ATOM 1927 CE LYS A 130 7.049 0.350 -10.246 1.00 0.00 C ATOM 1928 NZ LYS A 130 7.353 -0.543 -11.398 1.00 0.00 N ATOM 0 H LYS A 130 7.262 -2.506 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 130 8.305 -0.546 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.664 -1.261 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.846 0.363 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.784 -1.795 -8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.064 -1.809 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.012 -0.325 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 130 5.342 0.833 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.987 1.382 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.866 0.304 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.248 -0.249 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.437 -1.524 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.586 -0.480 -12.098 1.00 0.00 H new ATOM 1942 N LEU A 131 8.064 0.181 -4.547 1.00 0.00 N ATOM 1943 CA LEU A 131 8.346 1.195 -3.538 1.00 0.00 C ATOM 1944 C LEU A 131 9.710 1.837 -3.778 1.00 0.00 C ATOM 1945 O LEU A 131 10.549 1.285 -4.489 1.00 0.00 O ATOM 1946 CB LEU A 131 8.299 0.578 -2.140 1.00 0.00 C ATOM 1947 CG LEU A 131 7.051 -0.255 -1.842 1.00 0.00 C ATOM 1948 CD1 LEU A 131 7.099 -0.799 -0.423 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.794 0.575 -2.056 1.00 0.00 C ATOM 0 H LEU A 131 7.917 -0.756 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 131 7.582 1.969 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.178 -0.053 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.367 1.379 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 131 7.027 -1.099 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 131 6.203 -1.389 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.981 -1.429 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 131 7.147 0.030 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.915 -0.033 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.811 1.438 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.754 0.915 -3.091 1.00 0.00 H new ATOM 1961 N THR A 132 9.922 3.005 -3.180 1.00 0.00 N ATOM 1962 CA THR A 132 11.185 3.721 -3.329 1.00 0.00 C ATOM 1963 C THR A 132 11.399 4.694 -2.174 1.00 0.00 C ATOM 1964 O THR A 132 10.446 5.266 -1.647 1.00 0.00 O ATOM 1965 CB THR A 132 11.214 4.475 -4.660 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.268 3.936 -5.566 1.00 0.00 O ATOM 1967 CG2 THR A 132 12.568 4.441 -5.335 1.00 0.00 C ATOM 0 H THR A 132 9.237 3.476 -2.589 1.00 0.00 H new ATOM 0 HA THR A 132 11.993 2.989 -3.317 1.00 0.00 H new ATOM 0 HB THR A 132 10.974 5.509 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 132 10.303 4.434 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 132 12.521 4.994 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 132 13.312 4.898 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 132 12.848 3.407 -5.537 1.00 0.00 H new ATOM 1975 N ARG A 133 12.657 4.878 -1.789 1.00 0.00 N ATOM 1976 CA ARG A 133 12.998 5.784 -0.698 1.00 0.00 C ATOM 1977 C ARG A 133 13.078 7.225 -1.193 1.00 0.00 C ATOM 1978 O ARG A 133 13.872 7.545 -2.077 1.00 0.00 O ATOM 1979 CB ARG A 133 14.328 5.370 -0.062 1.00 0.00 C ATOM 1980 CG ARG A 133 14.192 4.900 1.379 1.00 0.00 C ATOM 1981 CD ARG A 133 14.900 5.838 2.344 1.00 0.00 C ATOM 1982 NE ARG A 133 14.735 5.419 3.734 1.00 0.00 N ATOM 1983 CZ ARG A 133 15.434 4.438 4.300 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.344 3.772 3.600 1.00 0.00 N ATOM 1985 NH2 ARG A 133 15.222 4.121 5.570 1.00 0.00 N ATOM 0 H ARG A 133 13.458 4.412 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 133 12.211 5.723 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.772 4.571 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.017 6.214 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.136 4.835 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.607 3.897 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 133 15.962 5.875 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 133 14.509 6.848 2.221 1.00 0.00 H new ATOM 0 HE ARG A 133 14.044 5.907 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.511 4.011 2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.876 3.021 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.523 4.629 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.757 3.369 6.004 1.00 0.00 H new ATOM 1999 N LYS A 134 12.249 8.089 -0.617 1.00 0.00 N ATOM 2000 CA LYS A 134 12.223 9.497 -0.998 1.00 0.00 C ATOM 2001 C LYS A 134 11.901 9.652 -2.482 1.00 0.00 C ATOM 2002 O LYS A 134 11.879 8.673 -3.229 1.00 0.00 O ATOM 2003 CB LYS A 134 13.567 10.158 -0.681 1.00 0.00 C ATOM 2004 CG LYS A 134 13.435 11.482 0.052 1.00 0.00 C ATOM 2005 CD LYS A 134 12.747 11.308 1.397 1.00 0.00 C ATOM 2006 CE LYS A 134 13.755 11.257 2.535 1.00 0.00 C ATOM 2007 NZ LYS A 134 13.180 11.768 3.809 1.00 0.00 N ATOM 0 H LYS A 134 11.585 7.839 0.116 1.00 0.00 H new ATOM 0 HA LYS A 134 11.440 9.991 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.165 9.476 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.111 10.320 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.423 11.917 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 134 12.868 12.183 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.052 12.132 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.158 10.391 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.093 10.230 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.632 11.847 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.898 11.716 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.881 12.756 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.358 11.189 4.076 1.00 0.00 H new