USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 157:sc= -0.587! USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= -4.94! USER MOD Set 1.3: A 20 THR OG1 : rot -119:sc= -1.24 USER MOD Set 1.4: A 33 CYS SG : rot 96:sc= 0.468 USER MOD Set 1.5: A 34 ASN : amide:sc= -3.23! C(o=-9.3!,f=-21!) USER MOD Set 1.6: A 36 CYS SG : rot 156:sc= 0.19 USER MOD Set 2.1: A 18 GLN : amide:sc= -2.76! C(o=-1.6!,f=-9.4!) USER MOD Set 2.2: A 19 THR OG1 : rot -38:sc= 1.12 USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.135 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -70:sc= 0.0694 USER MOD Single : A 14 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.9!) USER MOD Single : A 30 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.013) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -8.34! C(o=-8.3!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 1.16 (180deg=-0.827) USER MOD Single : A 53 THR OG1 : rot -116:sc= 0.422 USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= -1.57 (180deg=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.896 K(o=-0.9,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.225 12.039 31.502 1.00 0.00 N ATOM 956 CA THR A 10 10.797 11.725 31.233 1.00 0.00 C ATOM 957 C THR A 10 10.588 10.229 31.448 1.00 0.00 C ATOM 958 O THR A 10 11.185 9.403 30.786 1.00 0.00 O ATOM 959 CB THR A 10 10.450 12.084 29.786 1.00 0.00 C ATOM 960 OG1 THR A 10 10.736 13.456 29.556 1.00 0.00 O ATOM 961 CG2 THR A 10 8.963 11.820 29.539 1.00 0.00 C ATOM 0 HA THR A 10 10.156 12.299 31.902 1.00 0.00 H new ATOM 0 HB THR A 10 11.044 11.473 29.106 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.504 13.726 30.102 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.714 12.075 28.509 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.747 10.766 29.714 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.367 12.430 30.218 1.00 0.00 H new ATOM 969 N THR A 11 9.750 9.877 32.387 1.00 0.00 N ATOM 970 CA THR A 11 9.496 8.438 32.682 1.00 0.00 C ATOM 971 C THR A 11 7.998 8.227 32.909 1.00 0.00 C ATOM 972 O THR A 11 7.316 9.070 33.458 1.00 0.00 O ATOM 973 CB THR A 11 10.283 8.049 33.940 1.00 0.00 C ATOM 974 OG1 THR A 11 11.670 8.239 33.701 1.00 0.00 O ATOM 975 CG2 THR A 11 10.026 6.581 34.297 1.00 0.00 C ATOM 0 H THR A 11 9.226 10.532 32.967 1.00 0.00 H new ATOM 0 HA THR A 11 9.817 7.816 31.846 1.00 0.00 H new ATOM 0 HB THR A 11 9.958 8.676 34.770 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.177 7.993 34.503 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.591 6.320 35.192 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.962 6.433 34.484 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.341 5.945 33.470 1.00 0.00 H new ATOM 983 N CYS A 12 7.481 7.108 32.481 1.00 0.00 N ATOM 984 CA CYS A 12 6.028 6.835 32.661 1.00 0.00 C ATOM 985 C CYS A 12 5.743 6.541 34.136 1.00 0.00 C ATOM 986 O CYS A 12 6.138 5.519 34.662 1.00 0.00 O ATOM 987 CB CYS A 12 5.641 5.630 31.804 1.00 0.00 C ATOM 988 SG CYS A 12 3.856 5.638 31.529 1.00 0.00 S ATOM 0 H CYS A 12 8.005 6.369 32.013 1.00 0.00 H new ATOM 0 HA CYS A 12 5.444 7.703 32.354 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.167 5.664 30.850 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.940 4.706 32.300 1.00 0.00 H new ATOM 0 HG CYS A 12 3.579 4.959 30.455 1.00 0.00 H new ATOM 993 N THR A 13 5.043 7.422 34.798 1.00 0.00 N ATOM 994 CA THR A 13 4.731 7.200 36.238 1.00 0.00 C ATOM 995 C THR A 13 3.799 5.998 36.381 1.00 0.00 C ATOM 996 O THR A 13 3.549 5.528 37.473 1.00 0.00 O ATOM 997 CB THR A 13 4.060 8.445 36.827 1.00 0.00 C ATOM 998 OG1 THR A 13 2.793 8.640 36.215 1.00 0.00 O ATOM 999 CG2 THR A 13 4.946 9.668 36.582 1.00 0.00 C ATOM 0 H THR A 13 4.674 8.287 34.403 1.00 0.00 H new ATOM 0 HA THR A 13 5.658 7.007 36.778 1.00 0.00 H new ATOM 0 HB THR A 13 3.922 8.309 37.900 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.919 8.917 35.283 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.468 10.553 37.001 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.914 9.518 37.060 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.088 9.806 35.510 1.00 0.00 H new ATOM 1007 N ASN A 14 3.279 5.498 35.289 1.00 0.00 N ATOM 1008 CA ASN A 14 2.355 4.327 35.365 1.00 0.00 C ATOM 1009 C ASN A 14 3.103 3.033 35.026 1.00 0.00 C ATOM 1010 O ASN A 14 2.857 2.013 35.637 1.00 0.00 O ATOM 1011 CB ASN A 14 1.189 4.525 34.387 1.00 0.00 C ATOM 1012 CG ASN A 14 0.150 5.462 35.013 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.322 5.920 36.125 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.934 5.756 34.350 1.00 0.00 N ATOM 0 H ASN A 14 3.455 5.850 34.348 1.00 0.00 H new ATOM 0 HA ASN A 14 1.967 4.250 36.381 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.554 4.944 33.449 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.732 3.564 34.150 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.635 6.369 34.765 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.080 5.373 33.416 1.00 0.00 H new ATOM 1021 N CYS A 15 3.990 3.037 34.054 1.00 0.00 N ATOM 1022 CA CYS A 15 4.707 1.767 33.696 1.00 0.00 C ATOM 1023 C CYS A 15 6.212 2.016 33.544 1.00 0.00 C ATOM 1024 O CYS A 15 6.941 1.162 33.081 1.00 0.00 O ATOM 1025 CB CYS A 15 4.122 1.193 32.398 1.00 0.00 C ATOM 1026 SG CYS A 15 4.787 2.061 30.954 1.00 0.00 S ATOM 0 H CYS A 15 4.246 3.854 33.500 1.00 0.00 H new ATOM 0 HA CYS A 15 4.567 1.045 34.500 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.354 0.130 32.328 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.036 1.282 32.413 1.00 0.00 H new ATOM 0 HG CYS A 15 4.517 3.329 31.048 1.00 0.00 H new ATOM 1031 N PHE A 16 6.683 3.165 33.955 1.00 0.00 N ATOM 1032 CA PHE A 16 8.141 3.490 33.885 1.00 0.00 C ATOM 1033 C PHE A 16 8.800 3.092 32.565 1.00 0.00 C ATOM 1034 O PHE A 16 10.006 3.172 32.430 1.00 0.00 O ATOM 1035 CB PHE A 16 8.880 2.811 35.034 1.00 0.00 C ATOM 1036 CG PHE A 16 8.865 1.316 34.850 1.00 0.00 C ATOM 1037 CD1 PHE A 16 9.880 0.694 34.117 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.841 0.551 35.422 1.00 0.00 C ATOM 1039 CE1 PHE A 16 9.872 -0.697 33.952 1.00 0.00 C ATOM 1040 CE2 PHE A 16 7.830 -0.838 35.256 1.00 0.00 C ATOM 1041 CZ PHE A 16 8.846 -1.462 34.522 1.00 0.00 C ATOM 0 H PHE A 16 6.105 3.909 34.345 1.00 0.00 H new ATOM 0 HA PHE A 16 8.211 4.575 33.960 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.909 3.169 35.077 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.412 3.073 35.983 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.670 1.286 33.678 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.060 1.033 35.991 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.656 -1.179 33.386 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.039 -1.428 35.694 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.839 -2.534 34.395 1.00 0.00 H new ATOM 1051 N THR A 17 8.059 2.657 31.597 1.00 0.00 N ATOM 1052 CA THR A 17 8.710 2.257 30.316 1.00 0.00 C ATOM 1053 C THR A 17 9.433 3.468 29.720 1.00 0.00 C ATOM 1054 O THR A 17 8.890 4.554 29.647 1.00 0.00 O ATOM 1055 CB THR A 17 7.643 1.760 29.334 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.279 1.172 28.207 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.764 2.929 28.873 1.00 0.00 C ATOM 0 H THR A 17 7.044 2.559 31.628 1.00 0.00 H new ATOM 0 HA THR A 17 9.428 1.458 30.502 1.00 0.00 H new ATOM 0 HB THR A 17 7.016 1.020 29.832 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.599 0.852 27.578 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.010 2.564 28.176 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.273 3.378 29.737 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.384 3.677 28.378 1.00 0.00 H new ATOM 1065 N GLN A 18 10.660 3.291 29.304 1.00 0.00 N ATOM 1066 CA GLN A 18 11.440 4.427 28.724 1.00 0.00 C ATOM 1067 C GLN A 18 11.408 4.346 27.196 1.00 0.00 C ATOM 1068 O GLN A 18 11.978 5.174 26.513 1.00 0.00 O ATOM 1069 CB GLN A 18 12.892 4.342 29.214 1.00 0.00 C ATOM 1070 CG GLN A 18 13.610 3.140 28.573 1.00 0.00 C ATOM 1071 CD GLN A 18 14.261 3.558 27.250 1.00 0.00 C ATOM 1072 OE1 GLN A 18 13.670 3.423 26.198 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.464 4.066 27.262 1.00 0.00 N ATOM 0 H GLN A 18 11.159 2.402 29.341 1.00 0.00 H new ATOM 0 HA GLN A 18 11.001 5.373 29.041 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.420 5.263 28.966 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.910 4.247 30.300 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.368 2.754 29.254 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.899 2.333 28.398 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.961 4.180 28.146 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.907 4.349 26.388 1.00 0.00 H new ATOM 1082 N THR A 19 10.744 3.354 26.659 1.00 0.00 N ATOM 1083 CA THR A 19 10.661 3.200 25.172 1.00 0.00 C ATOM 1084 C THR A 19 9.213 3.421 24.721 1.00 0.00 C ATOM 1085 O THR A 19 8.323 2.675 25.076 1.00 0.00 O ATOM 1086 CB THR A 19 11.096 1.781 24.797 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.335 1.490 25.430 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.265 1.669 23.280 1.00 0.00 C ATOM 0 H THR A 19 10.251 2.637 27.191 1.00 0.00 H new ATOM 0 HA THR A 19 11.310 3.929 24.686 1.00 0.00 H new ATOM 0 HB THR A 19 10.335 1.073 25.125 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.898 2.292 25.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.575 0.656 23.022 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.317 1.894 22.791 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.024 2.377 22.945 1.00 0.00 H new ATOM 1096 N THR A 20 8.971 4.435 23.933 1.00 0.00 N ATOM 1097 CA THR A 20 7.583 4.690 23.454 1.00 0.00 C ATOM 1098 C THR A 20 7.626 5.709 22.303 1.00 0.00 C ATOM 1099 O THR A 20 8.465 6.586 22.294 1.00 0.00 O ATOM 1100 CB THR A 20 6.751 5.240 24.616 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.455 5.588 24.152 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.435 6.478 25.198 1.00 0.00 C ATOM 0 H THR A 20 9.674 5.096 23.601 1.00 0.00 H new ATOM 0 HA THR A 20 7.131 3.766 23.094 1.00 0.00 H new ATOM 0 HB THR A 20 6.666 4.477 25.390 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.303 6.546 24.294 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.841 6.867 26.025 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.427 6.209 25.560 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.525 7.241 24.425 1.00 0.00 H new ATOM 1110 N PRO A 21 6.742 5.614 21.336 1.00 0.00 N ATOM 1111 CA PRO A 21 6.718 6.567 20.186 1.00 0.00 C ATOM 1112 C PRO A 21 6.067 7.909 20.540 1.00 0.00 C ATOM 1113 O PRO A 21 6.225 8.886 19.835 1.00 0.00 O ATOM 1114 CB PRO A 21 5.870 5.828 19.147 1.00 0.00 C ATOM 1115 CG PRO A 21 4.901 5.044 19.965 1.00 0.00 C ATOM 1116 CD PRO A 21 5.675 4.600 21.209 1.00 0.00 C ATOM 0 HA PRO A 21 7.723 6.823 19.850 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.359 6.523 18.481 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.482 5.178 18.521 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.037 5.650 20.237 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.525 4.184 19.410 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.036 4.578 22.092 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.087 3.598 21.088 1.00 0.00 H new ATOM 1124 N LEU A 22 5.313 7.966 21.606 1.00 0.00 N ATOM 1125 CA LEU A 22 4.636 9.248 21.961 1.00 0.00 C ATOM 1126 C LEU A 22 4.381 9.327 23.471 1.00 0.00 C ATOM 1127 O LEU A 22 3.794 8.449 24.069 1.00 0.00 O ATOM 1128 CB LEU A 22 3.312 9.313 21.193 1.00 0.00 C ATOM 1129 CG LEU A 22 2.448 10.483 21.676 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.227 11.794 21.562 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.201 10.560 20.794 1.00 0.00 C ATOM 0 H LEU A 22 5.137 7.188 22.241 1.00 0.00 H new ATOM 0 HA LEU A 22 5.272 10.091 21.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.512 9.421 20.127 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.767 8.378 21.322 1.00 0.00 H new ATOM 0 HG LEU A 22 2.170 10.327 22.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.604 12.619 21.908 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.127 11.737 22.175 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.507 11.962 20.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.573 11.388 21.123 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.498 10.719 19.757 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.642 9.627 20.872 1.00 0.00 H new ATOM 1143 N TRP A 23 4.826 10.396 24.075 1.00 0.00 N ATOM 1144 CA TRP A 23 4.626 10.584 25.543 1.00 0.00 C ATOM 1145 C TRP A 23 3.265 11.239 25.796 1.00 0.00 C ATOM 1146 O TRP A 23 2.929 12.243 25.200 1.00 0.00 O ATOM 1147 CB TRP A 23 5.734 11.479 26.107 1.00 0.00 C ATOM 1148 CG TRP A 23 6.997 10.692 26.260 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.056 10.748 25.423 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.347 9.735 27.301 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.038 9.889 25.886 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.647 9.242 27.041 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.670 9.254 28.435 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.255 8.303 27.878 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.276 8.310 29.277 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.565 7.836 29.001 1.00 0.00 C ATOM 0 H TRP A 23 5.324 11.155 23.610 1.00 0.00 H new ATOM 0 HA TRP A 23 4.661 9.612 26.036 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.902 12.327 25.443 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.429 11.885 27.072 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.125 11.362 24.538 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.940 9.751 25.430 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.677 9.614 28.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.249 7.941 27.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.745 7.946 30.144 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.026 7.110 29.655 1.00 0.00 H new ATOM 1167 N ARG A 24 2.474 10.660 26.662 1.00 0.00 N ATOM 1168 CA ARG A 24 1.116 11.210 26.962 1.00 0.00 C ATOM 1169 C ARG A 24 1.099 11.779 28.385 1.00 0.00 C ATOM 1170 O ARG A 24 2.065 11.672 29.114 1.00 0.00 O ATOM 1171 CB ARG A 24 0.102 10.067 26.842 1.00 0.00 C ATOM 1172 CG ARG A 24 0.118 9.494 25.419 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.710 10.372 24.477 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.744 9.747 23.127 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.640 10.125 22.261 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.546 10.999 22.606 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.634 9.614 21.060 1.00 0.00 N ATOM 0 H ARG A 24 2.715 9.816 27.182 1.00 0.00 H new ATOM 0 HA ARG A 24 0.863 12.008 26.264 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.340 9.283 27.561 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.897 10.430 27.085 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.144 9.431 25.058 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.281 8.480 25.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.723 10.486 24.863 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.277 11.371 24.417 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.067 9.025 22.881 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.550 11.383 23.551 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.250 11.298 21.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.930 8.922 20.804 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.334 9.907 20.378 1.00 0.00 H new ATOM 1191 N ARG A 25 0.011 12.393 28.782 1.00 0.00 N ATOM 1192 CA ARG A 25 -0.073 12.984 30.155 1.00 0.00 C ATOM 1193 C ARG A 25 -1.433 12.665 30.781 1.00 0.00 C ATOM 1194 O ARG A 25 -2.423 12.491 30.096 1.00 0.00 O ATOM 1195 CB ARG A 25 0.108 14.503 30.062 1.00 0.00 C ATOM 1196 CG ARG A 25 -1.089 15.128 29.343 1.00 0.00 C ATOM 1197 CD ARG A 25 -0.784 16.597 29.034 1.00 0.00 C ATOM 1198 NE ARG A 25 -2.008 17.273 28.495 1.00 0.00 N ATOM 1199 CZ ARG A 25 -2.630 16.828 27.435 1.00 0.00 C ATOM 1200 NH1 ARG A 25 -2.103 15.892 26.696 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -3.764 17.367 27.079 1.00 0.00 N ATOM 0 H ARG A 25 -0.826 12.511 28.212 1.00 0.00 H new ATOM 0 HA ARG A 25 0.712 12.558 30.780 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.205 14.928 31.061 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.028 14.736 29.525 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.297 14.586 28.420 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.981 15.053 29.965 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.446 17.105 29.938 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.027 16.664 28.309 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.365 18.103 28.968 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.195 15.498 26.943 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.599 15.554 25.871 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.160 18.131 27.627 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.254 17.024 26.253 1.00 0.00 H new ATOM 1215 N ASN A 26 -1.480 12.586 32.082 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.759 12.279 32.788 1.00 0.00 C ATOM 1217 C ASN A 26 -3.458 13.599 33.144 1.00 0.00 C ATOM 1218 O ASN A 26 -2.798 14.541 33.526 1.00 0.00 O ATOM 1219 CB ASN A 26 -2.434 11.526 34.080 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.717 10.972 34.699 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -4.469 11.697 35.322 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -4.003 9.708 34.556 1.00 0.00 N ATOM 0 H ASN A 26 -0.677 12.723 32.695 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.406 11.675 32.152 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.740 10.712 33.871 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.939 12.194 34.785 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.856 9.329 34.966 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.373 9.099 34.034 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.764 13.692 33.042 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.485 14.948 33.401 1.00 0.00 C ATOM 1231 C PRO A 27 -4.976 15.562 34.714 1.00 0.00 C ATOM 1232 O PRO A 27 -5.307 16.682 35.047 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.941 14.491 33.551 1.00 0.00 C ATOM 1234 CG PRO A 27 -7.074 13.340 32.609 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.703 12.651 32.572 1.00 0.00 C ATOM 0 HA PRO A 27 -5.343 15.727 32.652 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.159 14.191 34.576 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.636 15.292 33.299 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.847 12.649 32.946 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.364 13.682 31.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.680 11.773 33.217 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.453 12.314 31.566 1.00 0.00 H new ATOM 1243 N GLU A 28 -4.170 14.841 35.459 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.637 15.380 36.751 1.00 0.00 C ATOM 1245 C GLU A 28 -2.185 15.848 36.569 1.00 0.00 C ATOM 1246 O GLU A 28 -1.539 16.267 37.509 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.696 14.284 37.818 1.00 0.00 C ATOM 1248 CG GLU A 28 -5.156 13.922 38.106 1.00 0.00 C ATOM 1249 CD GLU A 28 -5.866 15.110 38.760 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -5.223 15.811 39.525 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -7.038 15.301 38.482 1.00 0.00 O ATOM 0 H GLU A 28 -3.858 13.898 35.226 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.244 16.230 37.064 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.153 13.402 37.478 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.209 14.626 38.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.662 13.649 37.180 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.202 13.053 38.762 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.675 15.795 35.369 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.275 16.254 35.116 1.00 0.00 C ATOM 1260 C GLY A 29 0.744 15.138 35.379 1.00 0.00 C ATOM 1261 O GLY A 29 1.921 15.398 35.527 1.00 0.00 O ATOM 0 H GLY A 29 -2.170 15.451 34.546 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.184 16.594 34.084 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.051 17.109 35.754 1.00 0.00 H new ATOM 1265 N GLN A 30 0.324 13.900 35.425 1.00 0.00 N ATOM 1266 CA GLN A 30 1.293 12.786 35.664 1.00 0.00 C ATOM 1267 C GLN A 30 1.766 12.230 34.303 1.00 0.00 C ATOM 1268 O GLN A 30 0.975 11.658 33.580 1.00 0.00 O ATOM 1269 CB GLN A 30 0.586 11.667 36.436 1.00 0.00 C ATOM 1270 CG GLN A 30 -0.182 12.259 37.623 1.00 0.00 C ATOM 1271 CD GLN A 30 0.796 12.917 38.599 1.00 0.00 C ATOM 1272 OE1 GLN A 30 1.425 12.246 39.391 1.00 0.00 O ATOM 1273 NE2 GLN A 30 0.947 14.214 38.576 1.00 0.00 N ATOM 0 H GLN A 30 -0.647 13.611 35.308 1.00 0.00 H new ATOM 0 HA GLN A 30 2.146 13.153 36.235 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.100 11.135 35.777 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.316 10.940 36.790 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.906 12.993 37.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.745 11.476 38.131 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.418 14.777 37.910 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.594 14.664 39.224 1.00 0.00 H new ATOM 1282 N PRO A 31 3.020 12.386 33.931 1.00 0.00 N ATOM 1283 CA PRO A 31 3.527 11.872 32.617 1.00 0.00 C ATOM 1284 C PRO A 31 3.182 10.398 32.352 1.00 0.00 C ATOM 1285 O PRO A 31 3.427 9.536 33.171 1.00 0.00 O ATOM 1286 CB PRO A 31 5.049 12.049 32.713 1.00 0.00 C ATOM 1287 CG PRO A 31 5.242 13.170 33.676 1.00 0.00 C ATOM 1288 CD PRO A 31 4.097 13.060 34.686 1.00 0.00 C ATOM 0 HA PRO A 31 3.065 12.412 31.791 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.532 11.137 33.065 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.482 12.284 31.741 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.209 13.095 34.173 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.220 14.132 33.164 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.392 12.483 35.563 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.782 14.041 35.041 1.00 0.00 H new ATOM 1296 N LEU A 32 2.657 10.112 31.184 1.00 0.00 N ATOM 1297 CA LEU A 32 2.320 8.703 30.805 1.00 0.00 C ATOM 1298 C LEU A 32 3.013 8.408 29.473 1.00 0.00 C ATOM 1299 O LEU A 32 3.333 9.317 28.733 1.00 0.00 O ATOM 1300 CB LEU A 32 0.808 8.548 30.606 1.00 0.00 C ATOM 1301 CG LEU A 32 0.049 8.894 31.886 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.447 8.675 31.650 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.522 8.012 33.048 1.00 0.00 C ATOM 0 H LEU A 32 2.445 10.806 30.467 1.00 0.00 H new ATOM 0 HA LEU A 32 2.645 8.022 31.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.476 9.197 29.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.580 7.524 30.309 1.00 0.00 H new ATOM 0 HG LEU A 32 0.239 9.936 32.144 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.998 8.919 32.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.785 9.317 30.837 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.625 7.632 31.387 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.030 8.273 33.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.345 6.964 32.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.587 8.171 33.215 1.00 0.00 H new ATOM 1315 N CYS A 33 3.230 7.164 29.126 1.00 0.00 N ATOM 1316 CA CYS A 33 3.874 6.879 27.810 1.00 0.00 C ATOM 1317 C CYS A 33 2.788 6.853 26.731 1.00 0.00 C ATOM 1318 O CYS A 33 1.855 7.631 26.764 1.00 0.00 O ATOM 1319 CB CYS A 33 4.627 5.542 27.855 1.00 0.00 C ATOM 1320 SG CYS A 33 3.475 4.171 28.100 1.00 0.00 S ATOM 0 H CYS A 33 2.993 6.346 29.688 1.00 0.00 H new ATOM 0 HA CYS A 33 4.601 7.658 27.579 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.180 5.398 26.927 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.359 5.558 28.662 1.00 0.00 H new ATOM 0 HG CYS A 33 3.166 3.653 26.949 1.00 0.00 H new ATOM 1325 N ASN A 34 2.899 5.981 25.769 1.00 0.00 N ATOM 1326 CA ASN A 34 1.870 5.929 24.688 1.00 0.00 C ATOM 1327 C ASN A 34 0.624 5.152 25.135 1.00 0.00 C ATOM 1328 O ASN A 34 -0.446 5.709 25.284 1.00 0.00 O ATOM 1329 CB ASN A 34 2.469 5.244 23.457 1.00 0.00 C ATOM 1330 CG ASN A 34 3.156 3.942 23.878 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.438 3.740 25.041 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.436 3.043 22.973 1.00 0.00 N ATOM 0 H ASN A 34 3.655 5.302 25.682 1.00 0.00 H new ATOM 0 HA ASN A 34 1.571 6.951 24.453 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.686 5.035 22.728 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.187 5.906 22.973 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.892 2.171 23.244 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.199 3.212 21.995 1.00 0.00 H new ATOM 1339 N ALA A 35 0.745 3.862 25.292 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.429 3.015 25.663 1.00 0.00 C ATOM 1341 C ALA A 35 -1.059 3.416 27.003 1.00 0.00 C ATOM 1342 O ALA A 35 -2.262 3.364 27.154 1.00 0.00 O ATOM 1343 CB ALA A 35 0.021 1.555 25.731 1.00 0.00 C ATOM 0 H ALA A 35 1.620 3.350 25.178 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.193 3.159 24.899 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.827 0.925 26.001 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.406 1.247 24.759 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.804 1.450 26.482 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.290 3.789 27.989 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.912 4.151 29.301 1.00 0.00 C ATOM 1351 C CYS A 36 -1.910 5.300 29.111 1.00 0.00 C ATOM 1352 O CYS A 36 -3.065 5.196 29.476 1.00 0.00 O ATOM 1353 CB CYS A 36 0.172 4.594 30.283 1.00 0.00 C ATOM 1354 SG CYS A 36 1.161 3.175 30.817 1.00 0.00 S ATOM 0 H CYS A 36 0.727 3.859 27.949 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.432 3.277 29.694 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.816 5.337 29.812 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.286 5.072 31.149 1.00 0.00 H new ATOM 0 HG CYS A 36 2.334 3.584 31.202 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.478 6.391 28.541 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.405 7.540 28.326 1.00 0.00 C ATOM 1361 C GLY A 37 -3.563 7.123 27.414 1.00 0.00 C ATOM 1362 O GLY A 37 -4.713 7.404 27.688 1.00 0.00 O ATOM 0 H GLY A 37 -0.523 6.537 28.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.794 7.887 29.283 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.864 8.375 27.880 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.273 6.457 26.331 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.356 6.026 25.401 1.00 0.00 C ATOM 1368 C LEU A 38 -5.248 4.977 26.069 1.00 0.00 C ATOM 1369 O LEU A 38 -6.452 4.973 25.909 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.718 5.400 24.156 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.857 6.437 23.423 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.975 5.719 22.400 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.748 7.451 22.694 1.00 0.00 C ATOM 0 H LEU A 38 -2.330 6.191 26.048 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.959 6.894 25.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.105 4.546 24.443 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.495 5.025 23.490 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.240 6.965 24.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.360 6.449 21.874 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.332 5.004 22.913 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.605 5.192 21.683 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.123 8.180 22.179 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.372 6.931 21.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.383 7.964 23.417 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.658 4.076 26.802 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.458 3.008 27.466 1.00 0.00 C ATOM 1387 C PHE A 39 -6.207 3.545 28.688 1.00 0.00 C ATOM 1388 O PHE A 39 -7.386 3.307 28.855 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.531 1.873 27.900 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.346 0.818 28.604 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.920 -0.229 27.874 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -5.527 0.888 29.990 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.678 -1.205 28.530 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.286 -0.088 30.645 1.00 0.00 C ATOM 1395 CZ PHE A 39 -6.861 -1.134 29.915 1.00 0.00 C ATOM 0 H PHE A 39 -3.653 4.032 26.971 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.194 2.643 26.750 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.028 1.445 27.033 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.754 2.254 28.563 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.778 -0.284 26.805 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.081 1.694 30.553 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.122 -2.013 27.967 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.428 -0.034 31.714 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.447 -1.887 30.421 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.529 4.231 29.564 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.210 4.734 30.790 1.00 0.00 C ATOM 1407 C LEU A 40 -7.359 5.667 30.403 1.00 0.00 C ATOM 1408 O LEU A 40 -8.468 5.525 30.874 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.199 5.490 31.657 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.793 5.764 33.050 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.719 4.501 33.925 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -5.006 6.888 33.730 1.00 0.00 C ATOM 0 H LEU A 40 -4.539 4.464 29.486 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.613 3.891 31.351 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.283 4.907 31.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.929 6.431 31.177 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.836 6.056 32.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.143 4.713 34.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.283 3.697 33.452 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.678 4.197 34.038 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.427 7.082 34.717 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.962 6.591 33.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.068 7.793 33.125 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.109 6.627 29.557 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.197 7.564 29.157 1.00 0.00 C ATOM 1426 C LYS A 41 -9.346 6.790 28.498 1.00 0.00 C ATOM 1427 O LYS A 41 -10.503 7.011 28.794 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.641 8.597 28.168 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.715 9.650 27.863 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.237 10.597 26.752 1.00 0.00 C ATOM 1431 CE LYS A 41 -7.335 11.691 27.332 1.00 0.00 C ATOM 1432 NZ LYS A 41 -6.880 12.585 26.231 1.00 0.00 N ATOM 0 H LYS A 41 -6.202 6.804 29.126 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.575 8.071 30.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.756 9.076 28.587 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.330 8.103 27.247 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.639 9.158 27.558 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.940 10.221 28.764 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.693 10.033 25.994 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.096 11.050 26.257 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.877 12.266 28.083 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.476 11.244 27.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.267 13.330 26.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.349 12.030 25.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.706 13.020 25.773 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.038 5.910 27.585 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.114 5.153 26.878 1.00 0.00 C ATOM 1448 C LEU A 42 -10.796 4.151 27.814 1.00 0.00 C ATOM 1449 O LEU A 42 -11.988 3.929 27.727 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.516 4.397 25.689 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.061 5.388 24.609 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.293 4.626 23.526 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.273 6.103 23.983 1.00 0.00 C ATOM 0 H LEU A 42 -8.087 5.681 27.297 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.859 5.870 26.534 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.670 3.794 26.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.255 3.711 25.276 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.417 6.140 25.063 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.966 5.322 22.754 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.423 4.141 23.970 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.942 3.871 23.082 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.929 6.801 23.220 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.935 5.366 23.529 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.813 6.648 24.757 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.062 3.519 28.691 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.694 2.512 29.597 1.00 0.00 C ATOM 1467 C HIS A 43 -11.215 3.185 30.868 1.00 0.00 C ATOM 1468 O HIS A 43 -12.244 2.810 31.394 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.654 1.451 29.961 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.389 0.590 28.755 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.601 1.017 27.698 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.814 -0.672 28.419 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.579 0.032 26.784 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.301 -1.022 27.173 1.00 0.00 N ATOM 0 H HIS A 43 -9.059 3.654 28.820 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.537 2.047 29.085 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.732 1.927 30.294 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.014 0.839 30.788 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.124 1.916 27.627 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.449 -1.298 29.028 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.042 0.086 25.848 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.542 4.187 31.360 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.033 4.883 32.583 1.00 0.00 C ATOM 1484 C GLY A 44 -10.999 3.942 33.791 1.00 0.00 C ATOM 1485 O GLY A 44 -11.526 4.259 34.839 1.00 0.00 O ATOM 0 H GLY A 44 -9.674 4.554 30.969 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.416 5.760 32.781 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.050 5.239 32.421 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.383 2.792 33.665 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.317 1.842 34.822 1.00 0.00 C ATOM 1491 C VAL A 45 -8.932 1.192 34.884 1.00 0.00 C ATOM 1492 O VAL A 45 -8.327 0.887 33.875 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.382 0.753 34.669 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.774 1.358 34.872 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.298 0.139 33.270 1.00 0.00 C ATOM 0 H VAL A 45 -9.924 2.469 32.813 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.499 2.397 35.742 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.208 -0.021 35.417 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.529 0.579 34.762 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.841 1.790 35.871 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.945 2.136 34.128 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.058 -0.635 33.166 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.465 0.914 32.522 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.311 -0.300 33.124 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.426 0.979 36.070 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.080 0.348 36.217 1.00 0.00 C ATOM 1507 C VAL A 46 -7.079 -1.044 35.577 1.00 0.00 C ATOM 1508 O VAL A 46 -8.078 -1.735 35.570 1.00 0.00 O ATOM 1509 CB VAL A 46 -6.729 0.220 37.702 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -6.636 1.611 38.333 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -7.813 -0.591 38.414 1.00 0.00 C ATOM 0 H VAL A 46 -8.889 1.216 36.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.341 0.975 35.718 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.769 -0.286 37.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.386 1.515 39.390 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.862 2.189 37.828 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.594 2.121 38.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.564 -0.682 39.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.773 -0.085 38.310 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.876 -1.584 37.969 1.00 0.00 H new ATOM 1521 N ARG A 47 -5.960 -1.464 35.047 1.00 0.00 N ATOM 1522 CA ARG A 47 -5.874 -2.815 34.410 1.00 0.00 C ATOM 1523 C ARG A 47 -4.433 -3.328 34.562 1.00 0.00 C ATOM 1524 O ARG A 47 -3.508 -2.572 34.345 1.00 0.00 O ATOM 1525 CB ARG A 47 -6.217 -2.668 32.919 1.00 0.00 C ATOM 1526 CG ARG A 47 -6.206 -4.027 32.197 1.00 0.00 C ATOM 1527 CD ARG A 47 -7.547 -4.743 32.396 1.00 0.00 C ATOM 1528 NE ARG A 47 -8.592 -4.040 31.601 1.00 0.00 N ATOM 1529 CZ ARG A 47 -9.759 -4.591 31.424 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -10.005 -5.772 31.921 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -10.678 -3.961 30.747 1.00 0.00 N ATOM 0 H ARG A 47 -5.094 -0.925 35.027 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.566 -3.515 34.879 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.200 -2.208 32.815 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.500 -1.998 32.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.018 -3.880 31.133 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.395 -4.645 32.582 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.469 -5.783 32.080 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.818 -4.750 33.452 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.394 -3.126 31.195 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.284 -6.264 32.448 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.919 -6.203 31.782 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.482 -3.039 30.357 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.593 -4.390 30.607 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.219 -4.583 34.919 1.00 0.00 N ATOM 1546 CA PRO A 48 -2.851 -5.148 35.074 1.00 0.00 C ATOM 1547 C PRO A 48 -1.812 -4.478 34.173 1.00 0.00 C ATOM 1548 O PRO A 48 -1.765 -4.706 32.981 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.056 -6.603 34.668 1.00 0.00 C ATOM 1550 CG PRO A 48 -4.423 -6.942 35.183 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.223 -5.624 35.235 1.00 0.00 C ATOM 0 HA PRO A 48 -2.458 -5.004 36.081 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.996 -6.726 33.587 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.295 -7.249 35.105 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.913 -7.665 34.531 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.361 -7.395 36.172 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.039 -5.624 34.513 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.667 -5.465 36.218 1.00 0.00 H new ATOM 1559 N LEU A 49 -0.975 -3.662 34.744 1.00 0.00 N ATOM 1560 CA LEU A 49 0.071 -2.984 33.936 1.00 0.00 C ATOM 1561 C LEU A 49 0.954 -4.061 33.301 1.00 0.00 C ATOM 1562 O LEU A 49 1.729 -3.800 32.402 1.00 0.00 O ATOM 1563 CB LEU A 49 0.912 -2.086 34.846 1.00 0.00 C ATOM 1564 CG LEU A 49 0.017 -1.034 35.517 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.840 -0.266 36.557 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -0.536 -0.053 34.471 1.00 0.00 C ATOM 0 H LEU A 49 -0.970 -3.435 35.738 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.382 -2.369 33.159 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.411 -2.689 35.605 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.693 -1.595 34.265 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.821 -1.535 36.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.211 0.483 37.038 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.216 -0.960 37.308 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.679 0.226 36.066 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.168 0.686 34.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.291 0.452 33.972 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.124 -0.600 33.734 1.00 0.00 H new ATOM 1578 N SER A 50 0.841 -5.274 33.777 1.00 0.00 N ATOM 1579 CA SER A 50 1.667 -6.387 33.226 1.00 0.00 C ATOM 1580 C SER A 50 1.452 -6.500 31.716 1.00 0.00 C ATOM 1581 O SER A 50 2.134 -7.243 31.039 1.00 0.00 O ATOM 1582 CB SER A 50 1.258 -7.702 33.891 1.00 0.00 C ATOM 1583 OG SER A 50 1.395 -7.579 35.300 1.00 0.00 O ATOM 0 H SER A 50 0.207 -5.542 34.530 1.00 0.00 H new ATOM 0 HA SER A 50 2.719 -6.182 33.426 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.227 -7.947 33.634 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.881 -8.518 33.523 1.00 0.00 H new ATOM 0 HG SER A 50 1.132 -8.420 35.729 1.00 0.00 H new ATOM 1589 N LEU A 51 0.518 -5.766 31.178 1.00 0.00 N ATOM 1590 CA LEU A 51 0.279 -5.833 29.708 1.00 0.00 C ATOM 1591 C LEU A 51 1.446 -5.146 28.991 1.00 0.00 C ATOM 1592 O LEU A 51 1.792 -5.482 27.876 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.029 -5.115 29.364 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.223 -5.920 29.894 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -3.499 -5.085 29.744 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -2.367 -7.248 29.127 1.00 0.00 C ATOM 0 H LEU A 51 -0.088 -5.125 31.690 1.00 0.00 H new ATOM 0 HA LEU A 51 0.206 -6.873 29.391 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.031 -4.116 29.800 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.113 -4.992 28.284 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.057 -6.152 30.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.351 -5.652 30.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.399 -4.161 30.314 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.656 -4.847 28.692 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.219 -7.804 29.518 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.523 -7.042 28.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.460 -7.840 29.251 1.00 0.00 H new ATOM 1608 N LYS A 52 2.056 -4.187 29.634 1.00 0.00 N ATOM 1609 CA LYS A 52 3.208 -3.464 29.020 1.00 0.00 C ATOM 1610 C LYS A 52 4.230 -4.478 28.497 1.00 0.00 C ATOM 1611 O LYS A 52 4.353 -5.572 29.010 1.00 0.00 O ATOM 1612 CB LYS A 52 3.836 -2.561 30.095 1.00 0.00 C ATOM 1613 CG LYS A 52 5.216 -2.020 29.655 1.00 0.00 C ATOM 1614 CD LYS A 52 6.344 -2.839 30.300 1.00 0.00 C ATOM 1615 CE LYS A 52 7.698 -2.214 29.955 1.00 0.00 C ATOM 1616 NZ LYS A 52 8.781 -2.968 30.651 1.00 0.00 N ATOM 0 H LYS A 52 1.802 -3.870 30.570 1.00 0.00 H new ATOM 0 HA LYS A 52 2.877 -2.853 28.180 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.168 -1.726 30.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.945 -3.122 31.023 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.301 -2.064 28.569 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.310 -0.972 29.940 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.212 -2.869 31.382 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.307 -3.869 29.945 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.858 -2.237 28.877 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.716 -1.167 30.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.648 -2.939 30.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.965 -2.535 31.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.486 -3.956 30.783 1.00 0.00 H new ATOM 1630 N THR A 53 4.972 -4.115 27.483 1.00 0.00 N ATOM 1631 CA THR A 53 6.001 -5.039 26.920 1.00 0.00 C ATOM 1632 C THR A 53 7.215 -4.236 26.457 1.00 0.00 C ATOM 1633 O THR A 53 7.111 -3.076 26.111 1.00 0.00 O ATOM 1634 CB THR A 53 5.414 -5.800 25.734 1.00 0.00 C ATOM 1635 OG1 THR A 53 6.470 -6.327 24.948 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.558 -4.862 24.881 1.00 0.00 C ATOM 0 H THR A 53 4.908 -3.210 27.017 1.00 0.00 H new ATOM 0 HA THR A 53 6.307 -5.747 27.690 1.00 0.00 H new ATOM 0 HB THR A 53 4.788 -6.613 26.102 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.450 -5.919 24.057 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.144 -5.414 24.037 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.745 -4.460 25.486 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.174 -4.043 24.511 1.00 0.00 H new ATOM 1644 N ASP A 54 8.369 -4.841 26.461 1.00 0.00 N ATOM 1645 CA ASP A 54 9.602 -4.114 26.034 1.00 0.00 C ATOM 1646 C ASP A 54 9.770 -4.222 24.519 1.00 0.00 C ATOM 1647 O ASP A 54 10.589 -3.547 23.927 1.00 0.00 O ATOM 1648 CB ASP A 54 10.819 -4.733 26.725 1.00 0.00 C ATOM 1649 CG ASP A 54 10.781 -4.403 28.217 1.00 0.00 C ATOM 1650 OD1 ASP A 54 10.279 -3.343 28.556 1.00 0.00 O ATOM 1651 OD2 ASP A 54 11.248 -5.217 28.996 1.00 0.00 O ATOM 0 H ASP A 54 8.515 -5.811 26.742 1.00 0.00 H new ATOM 0 HA ASP A 54 9.515 -3.063 26.311 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.822 -5.813 26.581 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.737 -4.349 26.280 1.00 0.00 H new ATOM 1656 N VAL A 55 8.985 -5.057 23.887 1.00 0.00 N ATOM 1657 CA VAL A 55 9.062 -5.218 22.403 1.00 0.00 C ATOM 1658 C VAL A 55 7.746 -4.718 21.796 1.00 0.00 C ATOM 1659 O VAL A 55 6.675 -5.050 22.261 1.00 0.00 O ATOM 1660 CB VAL A 55 9.299 -6.696 22.071 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.167 -7.561 22.627 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.389 -6.883 20.554 1.00 0.00 C ATOM 0 H VAL A 55 8.284 -5.642 24.343 1.00 0.00 H new ATOM 0 HA VAL A 55 9.887 -4.639 21.988 1.00 0.00 H new ATOM 0 HB VAL A 55 10.237 -7.006 22.532 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.353 -8.606 22.381 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.119 -7.446 23.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.220 -7.248 22.187 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.557 -7.936 20.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.458 -6.556 20.091 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.216 -6.290 20.163 1.00 0.00 H new ATOM 1672 N ILE A 56 7.825 -3.900 20.775 1.00 0.00 N ATOM 1673 CA ILE A 56 6.591 -3.339 20.136 1.00 0.00 C ATOM 1674 C ILE A 56 6.527 -3.759 18.667 1.00 0.00 C ATOM 1675 O ILE A 56 7.521 -3.777 17.969 1.00 0.00 O ATOM 1676 CB ILE A 56 6.624 -1.812 20.208 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.648 -1.366 21.672 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.375 -1.245 19.529 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.970 0.127 21.742 1.00 0.00 C ATOM 0 H ILE A 56 8.701 -3.593 20.352 1.00 0.00 H new ATOM 0 HA ILE A 56 5.718 -3.719 20.666 1.00 0.00 H new ATOM 0 HB ILE A 56 7.517 -1.446 19.702 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.684 -1.564 22.140 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.394 -1.937 22.225 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.396 -0.156 19.579 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.353 -1.560 18.486 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.485 -1.614 20.038 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.988 0.447 22.784 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.944 0.311 21.289 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.208 0.689 21.203 1.00 0.00 H new ATOM 1691 N LYS A 57 5.358 -4.090 18.195 1.00 0.00 N ATOM 1692 CA LYS A 57 5.218 -4.502 16.771 1.00 0.00 C ATOM 1693 C LYS A 57 5.365 -3.270 15.874 1.00 0.00 C ATOM 1694 O LYS A 57 4.631 -2.309 16.000 1.00 0.00 O ATOM 1695 CB LYS A 57 3.829 -5.110 16.562 1.00 0.00 C ATOM 1696 CG LYS A 57 3.733 -5.701 15.154 1.00 0.00 C ATOM 1697 CD LYS A 57 2.416 -6.473 14.997 1.00 0.00 C ATOM 1698 CE LYS A 57 1.228 -5.504 14.920 1.00 0.00 C ATOM 1699 NZ LYS A 57 0.855 -5.053 16.290 1.00 0.00 N ATOM 0 H LYS A 57 4.492 -4.093 18.735 1.00 0.00 H new ATOM 0 HA LYS A 57 5.986 -5.234 16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.645 -5.885 17.306 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.063 -4.347 16.700 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.788 -4.904 14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.578 -6.365 14.971 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.452 -7.085 14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.284 -7.153 15.839 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.488 -4.644 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.378 -5.993 14.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.169 -5.172 16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.368 -5.621 16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.106 -4.050 16.406 1.00 0.00 H new ATOM 1713 N LYS A 58 6.304 -3.288 14.966 1.00 0.00 N ATOM 1714 CA LYS A 58 6.489 -2.117 14.062 1.00 0.00 C ATOM 1715 C LYS A 58 5.471 -2.172 12.924 1.00 0.00 C ATOM 1716 O LYS A 58 5.351 -3.165 12.233 1.00 0.00 O ATOM 1717 CB LYS A 58 7.903 -2.139 13.475 1.00 0.00 C ATOM 1718 CG LYS A 58 8.920 -1.798 14.564 1.00 0.00 C ATOM 1719 CD LYS A 58 10.331 -1.820 13.974 1.00 0.00 C ATOM 1720 CE LYS A 58 11.344 -1.475 15.067 1.00 0.00 C ATOM 1721 NZ LYS A 58 12.689 -1.279 14.458 1.00 0.00 N ATOM 0 H LYS A 58 6.950 -4.062 14.812 1.00 0.00 H new ATOM 0 HA LYS A 58 6.343 -1.201 14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.119 -3.123 13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.978 -1.423 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.705 -0.814 14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.846 -2.515 15.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.548 -2.804 13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.406 -1.105 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.035 -0.570 15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.382 -2.274 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.376 -1.045 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.983 -2.153 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.648 -0.502 13.768 1.00 0.00 H new ATOM 1735 N ARG A 59 4.732 -1.110 12.728 1.00 0.00 N ATOM 1736 CA ARG A 59 3.709 -1.087 11.641 1.00 0.00 C ATOM 1737 C ARG A 59 4.238 -0.266 10.466 1.00 0.00 C ATOM 1738 O ARG A 59 5.258 0.387 10.556 1.00 0.00 O ATOM 1739 CB ARG A 59 2.418 -0.458 12.163 1.00 0.00 C ATOM 1740 CG ARG A 59 1.764 -1.411 13.164 1.00 0.00 C ATOM 1741 CD ARG A 59 0.385 -0.879 13.556 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.238 -1.807 14.541 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.242 -1.405 15.269 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -1.707 -0.194 15.128 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.782 -2.215 16.138 1.00 0.00 N ATOM 0 H ARG A 59 4.794 -0.253 13.278 1.00 0.00 H new ATOM 0 HA ARG A 59 3.505 -2.106 11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.632 0.499 12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.737 -0.257 11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.670 -2.405 12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.391 -1.510 14.050 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.476 0.119 13.986 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.248 -0.789 12.673 1.00 0.00 H new ATOM 0 HE ARG A 59 0.121 -2.756 14.646 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.285 0.438 14.448 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.493 0.120 15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.419 -3.162 16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.568 -1.901 16.708 1.00 0.00 H new ATOM 1759 N ASN A 60 3.564 -0.327 9.355 1.00 0.00 N ATOM 1760 CA ASN A 60 4.030 0.411 8.150 1.00 0.00 C ATOM 1761 C ASN A 60 3.816 1.915 8.319 1.00 0.00 C ATOM 1762 O ASN A 60 3.449 2.399 9.372 1.00 0.00 O ATOM 1763 CB ASN A 60 3.243 -0.072 6.930 1.00 0.00 C ATOM 1764 CG ASN A 60 1.769 0.306 7.096 1.00 0.00 C ATOM 1765 OD1 ASN A 60 1.360 0.752 8.150 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.948 0.143 6.095 1.00 0.00 N ATOM 0 H ASN A 60 2.704 -0.860 9.228 1.00 0.00 H new ATOM 0 HA ASN A 60 5.095 0.221 8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.645 0.377 6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.343 -1.152 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.036 0.390 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.291 -0.231 5.210 1.00 0.00 H new