USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 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 156:sc= -0.177 USER MOD Set 1.2: A 15 CYS SG : rot -62:sc= -6.52! USER MOD Set 1.3: A 20 THR OG1 : rot -129:sc= -0.63 USER MOD Set 1.4: A 33 CYS SG : rot 94:sc= -0.204 USER MOD Set 1.5: A 34 ASN : amide:sc= -2.24! C(o=-9.6!,f=-20!) USER MOD Set 1.6: A 36 CYS SG : rot 158:sc= 0.209 USER MOD Set 2.1: A 13 THR OG1 : rot 130:sc= 0.00921 USER MOD Set 2.2: A 14 ASN : amide:sc= -2.84 K(o=-2.8,f=-6.8!) USER MOD Single : A 10 THR OG1 : rot 33:sc= 0.0464 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.12! C(o=-2.1!,f=-8.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.3!) USER MOD Single : A 30 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.041) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -0.214 (180deg=-1.01) USER MOD Single : A 43 HIS : no HE2:sc= -9.18! C(o=-9.2!,f=-17!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -0.279 (180deg=-1.48!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.659 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.928 (180deg=-1.49) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.23 (180deg=-1) USER MOD Single : A 60 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 13.113 10.298 29.631 1.00 0.00 N ATOM 956 CA THR A 10 11.781 10.503 30.269 1.00 0.00 C ATOM 957 C THR A 10 11.383 9.232 31.029 1.00 0.00 C ATOM 958 O THR A 10 11.834 8.151 30.702 1.00 0.00 O ATOM 959 CB THR A 10 10.761 10.810 29.170 1.00 0.00 C ATOM 960 OG1 THR A 10 11.090 12.050 28.562 1.00 0.00 O ATOM 961 CG2 THR A 10 9.348 10.889 29.752 1.00 0.00 C ATOM 0 HA THR A 10 11.816 11.333 30.974 1.00 0.00 H new ATOM 0 HB THR A 10 10.789 10.010 28.430 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.063 12.169 28.567 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.638 11.108 28.955 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.091 9.936 30.215 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.307 11.679 30.502 1.00 0.00 H new ATOM 969 N THR A 11 10.546 9.342 32.034 1.00 0.00 N ATOM 970 CA THR A 11 10.121 8.128 32.807 1.00 0.00 C ATOM 971 C THR A 11 8.593 8.083 32.939 1.00 0.00 C ATOM 972 O THR A 11 7.953 9.065 33.257 1.00 0.00 O ATOM 973 CB THR A 11 10.744 8.179 34.203 1.00 0.00 C ATOM 974 OG1 THR A 11 12.154 8.304 34.087 1.00 0.00 O ATOM 975 CG2 THR A 11 10.404 6.896 34.964 1.00 0.00 C ATOM 0 H THR A 11 10.138 10.221 32.353 1.00 0.00 H new ATOM 0 HA THR A 11 10.456 7.236 32.277 1.00 0.00 H new ATOM 0 HB THR A 11 10.347 9.036 34.746 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.554 8.339 34.981 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.849 6.934 35.958 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.322 6.802 35.054 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.799 6.036 34.423 1.00 0.00 H new ATOM 983 N CYS A 12 8.011 6.932 32.717 1.00 0.00 N ATOM 984 CA CYS A 12 6.530 6.792 32.851 1.00 0.00 C ATOM 985 C CYS A 12 6.193 6.629 34.334 1.00 0.00 C ATOM 986 O CYS A 12 6.497 5.620 34.942 1.00 0.00 O ATOM 987 CB CYS A 12 6.052 5.569 32.066 1.00 0.00 C ATOM 988 SG CYS A 12 4.284 5.738 31.722 1.00 0.00 S ATOM 0 H CYS A 12 8.501 6.079 32.447 1.00 0.00 H new ATOM 0 HA CYS A 12 6.031 7.675 32.452 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.609 5.480 31.134 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.238 4.660 32.637 1.00 0.00 H new ATOM 0 HG CYS A 12 3.976 5.032 30.675 1.00 0.00 H new ATOM 993 N THR A 13 5.558 7.609 34.914 1.00 0.00 N ATOM 994 CA THR A 13 5.210 7.523 36.361 1.00 0.00 C ATOM 995 C THR A 13 4.176 6.419 36.587 1.00 0.00 C ATOM 996 O THR A 13 3.903 6.042 37.709 1.00 0.00 O ATOM 997 CB THR A 13 4.642 8.868 36.834 1.00 0.00 C ATOM 998 OG1 THR A 13 3.774 9.388 35.838 1.00 0.00 O ATOM 999 CG2 THR A 13 5.785 9.856 37.089 1.00 0.00 C ATOM 0 H THR A 13 5.264 8.468 34.448 1.00 0.00 H new ATOM 0 HA THR A 13 6.109 7.288 36.930 1.00 0.00 H new ATOM 0 HB THR A 13 4.087 8.720 37.761 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.922 9.646 36.248 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.375 10.808 37.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.447 9.456 37.857 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.347 10.008 36.168 1.00 0.00 H new ATOM 1007 N ASN A 14 3.594 5.903 35.537 1.00 0.00 N ATOM 1008 CA ASN A 14 2.570 4.830 35.702 1.00 0.00 C ATOM 1009 C ASN A 14 3.175 3.451 35.431 1.00 0.00 C ATOM 1010 O ASN A 14 2.798 2.491 36.074 1.00 0.00 O ATOM 1011 CB ASN A 14 1.411 5.069 34.732 1.00 0.00 C ATOM 1012 CG ASN A 14 0.575 6.252 35.224 1.00 0.00 C ATOM 1013 OD1 ASN A 14 1.106 7.210 35.750 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.722 6.228 35.077 1.00 0.00 N ATOM 0 H ASN A 14 3.783 6.178 34.573 1.00 0.00 H new ATOM 0 HA ASN A 14 2.209 4.859 36.730 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.795 5.271 33.732 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.791 4.175 34.661 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.287 7.012 35.403 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.170 5.425 34.636 1.00 0.00 H new ATOM 1021 N CYS A 15 4.072 3.310 34.476 1.00 0.00 N ATOM 1022 CA CYS A 15 4.629 1.943 34.186 1.00 0.00 C ATOM 1023 C CYS A 15 6.159 1.972 34.073 1.00 0.00 C ATOM 1024 O CYS A 15 6.776 0.975 33.761 1.00 0.00 O ATOM 1025 CB CYS A 15 3.998 1.397 32.899 1.00 0.00 C ATOM 1026 SG CYS A 15 4.841 2.057 31.439 1.00 0.00 S ATOM 0 H CYS A 15 4.436 4.066 33.896 1.00 0.00 H new ATOM 0 HA CYS A 15 4.380 1.283 35.017 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.053 0.308 32.895 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.941 1.663 32.866 1.00 0.00 H new ATOM 0 HG CYS A 15 4.702 3.349 31.405 1.00 0.00 H new ATOM 1031 N PHE A 16 6.782 3.080 34.378 1.00 0.00 N ATOM 1032 CA PHE A 16 8.279 3.149 34.356 1.00 0.00 C ATOM 1033 C PHE A 16 8.872 2.798 32.979 1.00 0.00 C ATOM 1034 O PHE A 16 10.072 2.855 32.800 1.00 0.00 O ATOM 1035 CB PHE A 16 8.810 2.196 35.461 1.00 0.00 C ATOM 1036 CG PHE A 16 9.857 1.224 34.948 1.00 0.00 C ATOM 1037 CD1 PHE A 16 11.197 1.617 34.862 1.00 0.00 C ATOM 1038 CD2 PHE A 16 9.484 -0.073 34.570 1.00 0.00 C ATOM 1039 CE1 PHE A 16 12.163 0.715 34.399 1.00 0.00 C ATOM 1040 CE2 PHE A 16 10.450 -0.973 34.105 1.00 0.00 C ATOM 1041 CZ PHE A 16 11.791 -0.579 34.020 1.00 0.00 C ATOM 0 H PHE A 16 6.317 3.948 34.644 1.00 0.00 H new ATOM 0 HA PHE A 16 8.593 4.175 34.550 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.237 2.788 36.271 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.976 1.635 35.882 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.486 2.616 35.153 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.450 -0.378 34.638 1.00 0.00 H new ATOM 0 HE1 PHE A 16 13.197 1.019 34.334 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.161 -1.971 33.812 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.537 -1.273 33.662 1.00 0.00 H new ATOM 1051 N THR A 17 8.084 2.416 32.015 1.00 0.00 N ATOM 1052 CA THR A 17 8.684 2.048 30.694 1.00 0.00 C ATOM 1053 C THR A 17 9.349 3.268 30.041 1.00 0.00 C ATOM 1054 O THR A 17 8.779 4.338 29.976 1.00 0.00 O ATOM 1055 CB THR A 17 7.594 1.496 29.765 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.208 0.800 28.689 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.731 2.634 29.203 1.00 0.00 C ATOM 0 H THR A 17 7.069 2.342 32.076 1.00 0.00 H new ATOM 0 HA THR A 17 9.444 1.285 30.860 1.00 0.00 H new ATOM 0 HB THR A 17 6.955 0.822 30.336 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.517 0.444 28.093 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.965 2.220 28.547 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.255 3.169 30.024 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.359 3.322 28.638 1.00 0.00 H new ATOM 1065 N GLN A 18 10.552 3.097 29.545 1.00 0.00 N ATOM 1066 CA GLN A 18 11.277 4.222 28.874 1.00 0.00 C ATOM 1067 C GLN A 18 11.256 4.017 27.358 1.00 0.00 C ATOM 1068 O GLN A 18 11.700 4.865 26.608 1.00 0.00 O ATOM 1069 CB GLN A 18 12.733 4.267 29.349 1.00 0.00 C ATOM 1070 CG GLN A 18 12.795 4.655 30.832 1.00 0.00 C ATOM 1071 CD GLN A 18 12.530 3.425 31.701 1.00 0.00 C ATOM 1072 OE1 GLN A 18 12.367 2.332 31.195 1.00 0.00 O ATOM 1073 NE2 GLN A 18 12.482 3.557 32.997 1.00 0.00 N ATOM 0 H GLN A 18 11.067 2.217 29.577 1.00 0.00 H new ATOM 0 HA GLN A 18 10.782 5.159 29.129 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.202 3.294 29.200 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.295 4.986 28.754 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.774 5.074 31.067 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.058 5.429 31.046 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.619 4.474 33.422 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.308 2.743 33.586 1.00 0.00 H new ATOM 1082 N THR A 19 10.745 2.904 26.895 1.00 0.00 N ATOM 1083 CA THR A 19 10.699 2.653 25.421 1.00 0.00 C ATOM 1084 C THR A 19 9.295 2.960 24.903 1.00 0.00 C ATOM 1085 O THR A 19 8.338 2.294 25.242 1.00 0.00 O ATOM 1086 CB THR A 19 11.021 1.183 25.141 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.306 0.871 25.661 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.004 0.938 23.630 1.00 0.00 C ATOM 0 H THR A 19 10.358 2.158 27.473 1.00 0.00 H new ATOM 0 HA THR A 19 11.429 3.290 24.922 1.00 0.00 H new ATOM 0 HB THR A 19 10.275 0.549 25.620 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.511 -0.071 25.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.233 -0.108 23.428 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.017 1.176 23.234 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.750 1.572 23.150 1.00 0.00 H new ATOM 1096 N THR A 20 9.163 3.963 24.079 1.00 0.00 N ATOM 1097 CA THR A 20 7.817 4.301 23.544 1.00 0.00 C ATOM 1098 C THR A 20 7.959 5.248 22.342 1.00 0.00 C ATOM 1099 O THR A 20 8.863 6.059 22.305 1.00 0.00 O ATOM 1100 CB THR A 20 7.006 4.992 24.641 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.833 5.559 24.076 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.850 6.093 25.285 1.00 0.00 C ATOM 0 H THR A 20 9.925 4.559 23.755 1.00 0.00 H new ATOM 0 HA THR A 20 7.311 3.390 23.224 1.00 0.00 H new ATOM 0 HB THR A 20 6.726 4.262 25.400 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.757 6.496 24.352 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.271 6.585 26.067 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.749 5.655 25.720 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.133 6.825 24.528 1.00 0.00 H new ATOM 1110 N PRO A 21 7.074 5.171 21.374 1.00 0.00 N ATOM 1111 CA PRO A 21 7.121 6.066 20.178 1.00 0.00 C ATOM 1112 C PRO A 21 6.536 7.456 20.464 1.00 0.00 C ATOM 1113 O PRO A 21 6.755 8.393 19.722 1.00 0.00 O ATOM 1114 CB PRO A 21 6.254 5.323 19.161 1.00 0.00 C ATOM 1115 CG PRO A 21 5.226 4.632 19.994 1.00 0.00 C ATOM 1116 CD PRO A 21 5.940 4.228 21.288 1.00 0.00 C ATOM 0 HA PRO A 21 8.141 6.253 19.843 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.795 6.011 18.451 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.841 4.611 18.581 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.383 5.291 20.202 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.827 3.758 19.478 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.281 4.315 22.152 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.282 3.194 21.250 1.00 0.00 H new ATOM 1124 N LEU A 22 5.777 7.592 21.520 1.00 0.00 N ATOM 1125 CA LEU A 22 5.162 8.917 21.827 1.00 0.00 C ATOM 1126 C LEU A 22 4.856 9.034 23.327 1.00 0.00 C ATOM 1127 O LEU A 22 4.119 8.251 23.893 1.00 0.00 O ATOM 1128 CB LEU A 22 3.877 9.052 20.999 1.00 0.00 C ATOM 1129 CG LEU A 22 3.019 10.233 21.473 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.831 11.528 21.468 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.834 10.399 20.518 1.00 0.00 C ATOM 0 H LEU A 22 5.557 6.846 22.180 1.00 0.00 H new ATOM 0 HA LEU A 22 5.854 9.719 21.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.133 9.187 19.948 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.299 8.130 21.070 1.00 0.00 H new ATOM 0 HG LEU A 22 2.676 10.031 22.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.204 12.352 21.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.686 11.424 22.136 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.183 11.733 20.457 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.217 11.236 20.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.203 10.592 19.511 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.237 9.487 20.517 1.00 0.00 H new ATOM 1143 N TRP A 23 5.432 10.020 23.962 1.00 0.00 N ATOM 1144 CA TRP A 23 5.201 10.221 25.425 1.00 0.00 C ATOM 1145 C TRP A 23 3.869 10.948 25.635 1.00 0.00 C ATOM 1146 O TRP A 23 3.591 11.947 25.002 1.00 0.00 O ATOM 1147 CB TRP A 23 6.342 11.053 26.024 1.00 0.00 C ATOM 1148 CG TRP A 23 7.542 10.186 26.248 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.622 10.125 25.436 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.802 9.258 27.342 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.528 9.224 25.966 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.067 8.662 27.139 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.069 8.883 28.481 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.587 7.724 28.036 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.586 7.943 29.384 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.841 7.365 29.163 1.00 0.00 C ATOM 0 H TRP A 23 6.057 10.700 23.528 1.00 0.00 H new ATOM 0 HA TRP A 23 5.169 9.251 25.921 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.596 11.874 25.353 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.023 11.498 26.966 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.755 10.687 24.524 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.428 9.002 25.541 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.099 9.323 28.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.556 7.281 27.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.012 7.663 30.255 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.233 6.642 29.863 1.00 0.00 H new ATOM 1167 N ARG A 24 3.033 10.432 26.503 1.00 0.00 N ATOM 1168 CA ARG A 24 1.694 11.052 26.756 1.00 0.00 C ATOM 1169 C ARG A 24 1.670 11.696 28.144 1.00 0.00 C ATOM 1170 O ARG A 24 2.635 11.642 28.881 1.00 0.00 O ATOM 1171 CB ARG A 24 0.624 9.956 26.690 1.00 0.00 C ATOM 1172 CG ARG A 24 0.614 9.296 25.303 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.218 10.131 24.326 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.122 9.549 22.959 1.00 0.00 N ATOM 1175 CZ ARG A 24 -0.987 9.906 22.054 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -1.915 10.766 22.366 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -0.920 9.410 20.847 1.00 0.00 N ATOM 0 H ARG A 24 3.224 9.596 27.055 1.00 0.00 H new ATOM 0 HA ARG A 24 1.499 11.817 26.005 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.817 9.204 27.455 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.356 10.383 26.903 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.634 9.198 24.932 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.202 8.289 25.374 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.259 10.156 24.649 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.138 11.161 24.319 1.00 0.00 H new ATOM 0 HE ARG A 24 0.613 8.878 22.734 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.957 11.151 23.310 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.599 11.054 21.667 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.188 8.740 20.611 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.600 9.693 20.141 1.00 0.00 H new ATOM 1191 N ARG A 25 0.574 12.322 28.499 1.00 0.00 N ATOM 1192 CA ARG A 25 0.475 12.994 29.831 1.00 0.00 C ATOM 1193 C ARG A 25 -0.898 12.720 30.456 1.00 0.00 C ATOM 1194 O ARG A 25 -1.878 12.514 29.769 1.00 0.00 O ATOM 1195 CB ARG A 25 0.657 14.504 29.634 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.500 15.065 28.778 1.00 0.00 C ATOM 1197 CD ARG A 25 -1.730 15.436 29.641 1.00 0.00 C ATOM 1198 NE ARG A 25 -2.132 16.858 29.390 1.00 0.00 N ATOM 1199 CZ ARG A 25 -1.283 17.846 29.507 1.00 0.00 C ATOM 1200 NH1 ARG A 25 -0.062 17.623 29.911 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -1.665 19.064 29.230 1.00 0.00 N ATOM 0 H ARG A 25 -0.261 12.396 27.918 1.00 0.00 H new ATOM 0 HA ARG A 25 1.247 12.607 30.496 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.682 15.006 30.601 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.611 14.704 29.147 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.157 15.947 28.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.790 14.326 28.031 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.561 14.770 29.408 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.497 15.298 30.697 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.095 17.061 29.120 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.235 16.674 30.138 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.595 18.398 30.000 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.622 19.241 28.924 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.007 19.838 29.320 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.965 12.710 31.762 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.256 12.446 32.464 1.00 0.00 C ATOM 1217 C ASN A 26 -2.982 13.778 32.712 1.00 0.00 C ATOM 1218 O ASN A 26 -2.346 14.756 33.043 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.950 11.793 33.816 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.234 11.215 34.417 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -4.022 11.934 34.998 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.479 9.938 34.303 1.00 0.00 N ATOM 0 H ASN A 26 -0.170 12.876 32.379 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.883 11.793 31.857 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.210 11.003 33.689 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.519 12.528 34.496 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.332 9.545 34.702 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.818 9.333 33.815 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.289 13.843 32.576 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.037 15.109 32.832 1.00 0.00 C ATOM 1231 C PRO A 27 -4.578 15.802 34.122 1.00 0.00 C ATOM 1232 O PRO A 27 -4.927 16.935 34.386 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.493 14.649 32.958 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.581 13.425 32.107 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.200 12.755 32.164 1.00 0.00 C ATOM 0 HA PRO A 27 -4.879 15.842 32.041 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.750 14.430 33.994 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.183 15.420 32.615 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.355 12.751 32.475 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.845 13.683 31.082 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.186 11.931 32.878 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.917 12.343 31.196 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.800 15.126 34.930 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.315 15.735 36.206 1.00 0.00 C ATOM 1245 C GLU A 28 -1.905 16.296 35.995 1.00 0.00 C ATOM 1246 O GLU A 28 -1.262 16.754 36.919 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.287 14.663 37.300 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.720 14.265 37.658 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.696 13.123 38.677 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -3.610 12.709 39.045 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.764 12.684 39.070 1.00 0.00 O ATOM 0 H GLU A 28 -3.478 14.173 34.759 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.983 16.541 36.508 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.731 13.791 36.956 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.772 15.042 38.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.254 15.122 38.069 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.257 13.955 36.762 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.436 16.288 34.776 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.083 16.842 34.472 1.00 0.00 C ATOM 1260 C GLY A 29 1.030 15.816 34.725 1.00 0.00 C ATOM 1261 O GLY A 29 2.197 16.151 34.686 1.00 0.00 O ATOM 0 H GLY A 29 -1.938 15.917 33.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.049 17.164 33.431 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.093 17.726 35.085 1.00 0.00 H new ATOM 1265 N GLN A 30 0.703 14.575 34.973 1.00 0.00 N ATOM 1266 CA GLN A 30 1.778 13.561 35.209 1.00 0.00 C ATOM 1267 C GLN A 30 2.213 12.973 33.854 1.00 0.00 C ATOM 1268 O GLN A 30 1.404 12.842 32.958 1.00 0.00 O ATOM 1269 CB GLN A 30 1.241 12.446 36.111 1.00 0.00 C ATOM 1270 CG GLN A 30 0.750 13.048 37.430 1.00 0.00 C ATOM 1271 CD GLN A 30 1.949 13.431 38.302 1.00 0.00 C ATOM 1272 OE1 GLN A 30 2.183 14.596 38.553 1.00 0.00 O ATOM 1273 NE2 GLN A 30 2.723 12.493 38.778 1.00 0.00 N ATOM 0 H GLN A 30 -0.252 14.220 35.023 1.00 0.00 H new ATOM 0 HA GLN A 30 2.632 14.031 35.696 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.426 11.922 35.613 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.023 11.711 36.303 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.136 13.927 37.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.120 12.330 37.956 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.527 11.514 38.568 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.524 12.739 39.360 1.00 0.00 H new ATOM 1282 N PRO A 31 3.469 12.624 33.682 1.00 0.00 N ATOM 1283 CA PRO A 31 3.965 12.057 32.392 1.00 0.00 C ATOM 1284 C PRO A 31 3.617 10.574 32.220 1.00 0.00 C ATOM 1285 O PRO A 31 3.846 9.768 33.099 1.00 0.00 O ATOM 1286 CB PRO A 31 5.482 12.243 32.494 1.00 0.00 C ATOM 1287 CG PRO A 31 5.767 12.112 33.953 1.00 0.00 C ATOM 1288 CD PRO A 31 4.559 12.722 34.675 1.00 0.00 C ATOM 0 HA PRO A 31 3.511 12.548 31.531 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.016 11.490 31.914 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.791 13.217 32.113 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.902 11.067 34.232 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.686 12.634 34.220 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.320 12.175 35.587 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.746 13.756 34.963 1.00 0.00 H new ATOM 1296 N LEU A 32 3.098 10.216 31.071 1.00 0.00 N ATOM 1297 CA LEU A 32 2.749 8.789 30.787 1.00 0.00 C ATOM 1298 C LEU A 32 3.445 8.403 29.483 1.00 0.00 C ATOM 1299 O LEU A 32 3.787 9.261 28.696 1.00 0.00 O ATOM 1300 CB LEU A 32 1.237 8.641 30.588 1.00 0.00 C ATOM 1301 CG LEU A 32 0.467 9.092 31.830 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.025 8.846 31.594 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.919 8.300 33.060 1.00 0.00 C ATOM 0 H LEU A 32 2.899 10.862 30.307 1.00 0.00 H new ATOM 0 HA LEU A 32 3.061 8.156 31.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.922 9.231 29.728 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.997 7.601 30.366 1.00 0.00 H new ATOM 0 HG LEU A 32 0.659 10.150 32.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.589 9.163 32.471 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.355 9.416 30.725 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.195 7.784 31.417 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.360 8.635 33.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.735 7.238 32.897 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.984 8.463 33.226 1.00 0.00 H new ATOM 1315 N CYS A 33 3.635 7.136 29.212 1.00 0.00 N ATOM 1316 CA CYS A 33 4.284 6.759 27.925 1.00 0.00 C ATOM 1317 C CYS A 33 3.214 6.711 26.829 1.00 0.00 C ATOM 1318 O CYS A 33 2.322 7.534 26.801 1.00 0.00 O ATOM 1319 CB CYS A 33 5.007 5.412 28.069 1.00 0.00 C ATOM 1320 SG CYS A 33 3.830 4.073 28.381 1.00 0.00 S ATOM 0 H CYS A 33 3.372 6.359 29.818 1.00 0.00 H new ATOM 0 HA CYS A 33 5.034 7.501 27.651 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.572 5.200 27.161 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.726 5.467 28.887 1.00 0.00 H new ATOM 0 HG CYS A 33 3.501 3.513 27.255 1.00 0.00 H new ATOM 1325 N ASN A 34 3.292 5.787 25.913 1.00 0.00 N ATOM 1326 CA ASN A 34 2.270 5.749 24.823 1.00 0.00 C ATOM 1327 C ASN A 34 0.970 5.065 25.273 1.00 0.00 C ATOM 1328 O ASN A 34 -0.061 5.698 25.387 1.00 0.00 O ATOM 1329 CB ASN A 34 2.845 4.997 23.620 1.00 0.00 C ATOM 1330 CG ASN A 34 3.489 3.689 24.084 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.888 3.564 25.225 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.610 2.702 23.241 1.00 0.00 N ATOM 0 H ASN A 34 4.009 5.063 25.869 1.00 0.00 H new ATOM 0 HA ASN A 34 2.029 6.778 24.556 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.055 4.788 22.899 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.584 5.616 23.112 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.039 1.826 23.539 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.275 2.806 22.283 1.00 0.00 H new ATOM 1339 N ALA A 35 0.991 3.775 25.472 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.256 3.040 25.844 1.00 0.00 C ATOM 1341 C ALA A 35 -0.838 3.493 27.192 1.00 0.00 C ATOM 1342 O ALA A 35 -2.034 3.437 27.393 1.00 0.00 O ATOM 1343 CB ALA A 35 0.047 1.542 25.885 1.00 0.00 C ATOM 0 H ALA A 35 1.825 3.193 25.393 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.010 3.263 25.089 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.856 0.995 26.156 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.390 1.213 24.904 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.824 1.348 26.625 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.036 3.923 28.127 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.610 4.349 29.441 1.00 0.00 C ATOM 1351 C CYS A 36 -1.619 5.481 29.225 1.00 0.00 C ATOM 1352 O CYS A 36 -2.769 5.390 29.609 1.00 0.00 O ATOM 1353 CB CYS A 36 0.508 4.853 30.353 1.00 0.00 C ATOM 1354 SG CYS A 36 1.383 3.464 31.104 1.00 0.00 S ATOM 0 H CYS A 36 0.978 3.998 28.044 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.107 3.495 29.901 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.206 5.463 29.780 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.091 5.492 31.131 1.00 0.00 H new ATOM 0 HG CYS A 36 2.567 3.848 31.478 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.190 6.551 28.618 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.109 7.698 28.378 1.00 0.00 C ATOM 1361 C GLY A 37 -3.273 7.265 27.480 1.00 0.00 C ATOM 1362 O GLY A 37 -4.419 7.572 27.743 1.00 0.00 O ATOM 0 H GLY A 37 -0.238 6.681 28.276 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.492 8.071 29.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.564 8.518 27.910 1.00 0.00 H new ATOM 1366 N LEU A 38 -2.988 6.560 26.420 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.069 6.111 25.494 1.00 0.00 C ATOM 1368 C LEU A 38 -4.999 5.106 26.184 1.00 0.00 C ATOM 1369 O LEU A 38 -6.198 5.122 25.991 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.429 5.430 24.279 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.570 6.435 23.496 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.576 5.678 22.611 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.457 7.308 22.602 1.00 0.00 C ATOM 0 H LEU A 38 -2.046 6.273 26.153 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.652 6.981 25.192 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.813 4.592 24.606 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.205 5.022 23.631 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.037 7.066 24.207 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.967 6.391 22.056 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.932 5.059 23.235 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.121 5.044 21.911 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.836 8.016 22.053 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.997 6.676 21.897 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.170 7.854 23.219 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.450 4.216 26.963 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.298 3.189 27.638 1.00 0.00 C ATOM 1387 C PHE A 39 -6.024 3.776 28.851 1.00 0.00 C ATOM 1388 O PHE A 39 -7.210 3.592 29.024 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.423 2.024 28.105 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.303 0.866 28.510 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.796 0.775 29.817 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -5.619 -0.126 27.574 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.607 -0.307 30.184 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.426 -1.209 27.942 1.00 0.00 C ATOM 1395 CZ PHE A 39 -6.920 -1.299 29.248 1.00 0.00 C ATOM 0 H PHE A 39 -3.452 4.154 27.163 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.040 2.844 26.918 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.747 1.719 27.306 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.803 2.335 28.946 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.552 1.538 30.541 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.239 -0.056 26.565 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.991 -0.376 31.191 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.667 -1.974 27.219 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.543 -2.134 29.534 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.318 4.448 29.716 1.00 0.00 N ATOM 1406 CA LEU A 40 -5.974 4.996 30.937 1.00 0.00 C ATOM 1407 C LEU A 40 -7.068 5.998 30.554 1.00 0.00 C ATOM 1408 O LEU A 40 -8.180 5.925 31.037 1.00 0.00 O ATOM 1409 CB LEU A 40 -4.917 5.695 31.797 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.471 5.965 33.205 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.431 4.685 34.057 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.627 7.046 33.885 1.00 0.00 C ATOM 0 H LEU A 40 -4.320 4.641 29.632 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.432 4.179 31.495 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.023 5.075 31.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.620 6.634 31.329 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.505 6.298 33.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.827 4.896 35.050 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.036 3.913 33.582 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.401 4.338 34.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.019 7.239 34.884 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.594 6.708 33.960 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.667 7.963 33.297 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.762 6.943 29.709 1.00 0.00 N ATOM 1425 CA LYS A 41 -7.785 7.959 29.322 1.00 0.00 C ATOM 1426 C LYS A 41 -8.999 7.286 28.670 1.00 0.00 C ATOM 1427 O LYS A 41 -10.130 7.619 28.961 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.158 8.937 28.323 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.175 10.014 27.933 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.535 10.980 26.935 1.00 0.00 C ATOM 1431 CE LYS A 41 -8.515 12.112 26.625 1.00 0.00 C ATOM 1432 NZ LYS A 41 -8.899 12.790 27.894 1.00 0.00 N ATOM 0 H LYS A 41 -5.849 7.057 29.269 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.116 8.485 30.217 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.275 9.401 28.762 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.827 8.399 27.434 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.059 9.553 27.493 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.505 10.556 28.819 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.611 11.386 27.347 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.271 10.452 26.019 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.058 12.827 25.941 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.401 11.716 26.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.014 13.809 27.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.796 12.394 28.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.156 12.641 28.606 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.777 6.368 27.772 1.00 0.00 N ATOM 1447 CA LEU A 42 -9.926 5.710 27.086 1.00 0.00 C ATOM 1448 C LEU A 42 -10.678 4.804 28.063 1.00 0.00 C ATOM 1449 O LEU A 42 -11.869 4.599 27.935 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.421 4.869 25.909 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.866 5.773 24.798 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.253 4.892 23.703 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -9.983 6.644 24.197 1.00 0.00 C ATOM 0 H LEU A 42 -7.854 6.045 27.483 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.600 6.485 26.720 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.644 4.185 26.251 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.234 4.258 25.516 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.107 6.432 25.219 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.855 5.523 22.908 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.448 4.292 24.127 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.019 4.234 23.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.569 7.277 23.412 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.757 6.003 23.775 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.416 7.270 24.977 1.00 0.00 H new ATOM 1465 N HIS A 43 -9.999 4.236 29.022 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.689 3.322 29.979 1.00 0.00 C ATOM 1467 C HIS A 43 -11.243 4.108 31.171 1.00 0.00 C ATOM 1468 O HIS A 43 -12.329 3.833 31.642 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.687 2.273 30.464 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.363 1.354 29.321 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.529 1.735 28.283 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.768 0.076 29.026 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.460 0.710 27.418 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.196 -0.329 27.822 1.00 0.00 N ATOM 0 H HIS A 43 -9.000 4.364 29.185 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.525 2.835 29.477 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.781 2.756 30.829 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.105 1.708 31.297 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.053 2.632 28.192 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.429 -0.524 29.634 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.880 0.724 26.507 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.539 5.095 31.656 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.070 5.893 32.800 1.00 0.00 C ATOM 1484 C GLY A 44 -11.148 5.044 34.073 1.00 0.00 C ATOM 1485 O GLY A 44 -11.715 5.460 35.062 1.00 0.00 O ATOM 0 H GLY A 44 -9.623 5.383 31.312 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.429 6.757 32.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.060 6.275 32.553 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.583 3.863 34.069 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.630 3.001 35.292 1.00 0.00 C ATOM 1491 C VAL A 45 -9.301 2.264 35.467 1.00 0.00 C ATOM 1492 O VAL A 45 -8.650 1.902 34.508 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.755 1.973 35.158 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.109 2.675 35.262 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.648 1.273 33.802 1.00 0.00 C ATOM 0 H VAL A 45 -10.091 3.458 33.273 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.811 3.636 36.160 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.667 1.237 35.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.908 1.940 35.166 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.188 3.173 36.229 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.198 3.414 34.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.450 0.540 33.706 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.733 2.011 33.004 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.685 0.768 33.728 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.897 2.033 36.688 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.615 1.310 36.922 1.00 0.00 C ATOM 1507 C VAL A 46 -7.687 -0.065 36.253 1.00 0.00 C ATOM 1508 O VAL A 46 -8.730 -0.685 36.196 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.377 1.137 38.426 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.140 2.505 39.068 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.598 0.476 39.070 1.00 0.00 C ATOM 0 H VAL A 46 -9.399 2.313 37.531 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.792 1.886 36.498 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.502 0.506 38.581 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.971 2.381 40.138 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.266 2.973 38.615 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.014 3.137 38.910 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.425 0.355 40.139 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.476 1.103 38.914 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.764 -0.501 38.616 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.588 -0.541 35.736 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.587 -1.871 35.057 1.00 0.00 C ATOM 1523 C ARG A 47 -5.200 -2.508 35.228 1.00 0.00 C ATOM 1524 O ARG A 47 -4.205 -1.858 34.979 1.00 0.00 O ATOM 1525 CB ARG A 47 -6.866 -1.645 33.566 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.103 -2.976 32.837 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.553 -3.442 33.027 1.00 0.00 C ATOM 1528 NE ARG A 47 -9.480 -2.379 32.539 1.00 0.00 N ATOM 1529 CZ ARG A 47 -10.747 -2.642 32.358 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -11.212 -3.832 32.622 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -11.549 -1.711 31.916 1.00 0.00 N ATOM 0 H ARG A 47 -5.686 -0.065 35.754 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.345 -2.527 35.484 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.739 -1.003 33.450 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.024 -1.123 33.111 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.889 -2.859 31.775 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.418 -3.733 33.219 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.724 -4.369 32.480 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.745 -3.653 34.079 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.123 -1.443 32.346 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.586 -4.558 32.970 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.201 -4.036 32.480 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.186 -0.780 31.712 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.538 -1.915 31.774 1.00 0.00 H new ATOM 1545 N PRO A 48 -5.108 -3.752 35.648 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.795 -4.429 35.834 1.00 0.00 C ATOM 1547 C PRO A 48 -2.742 -3.987 34.812 1.00 0.00 C ATOM 1548 O PRO A 48 -2.879 -4.204 33.625 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.150 -5.902 35.655 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.522 -6.020 36.237 1.00 0.00 C ATOM 1551 CD PRO A 48 -6.216 -4.668 36.000 1.00 0.00 C ATOM 0 HA PRO A 48 -3.342 -4.193 36.797 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.137 -6.190 34.604 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.441 -6.549 36.172 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.077 -6.829 35.762 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.473 -6.249 37.301 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.951 -4.732 35.197 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.745 -4.330 36.891 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.684 -3.379 35.275 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.610 -2.935 34.346 1.00 0.00 C ATOM 1561 C LEU A 49 -0.045 -4.167 33.635 1.00 0.00 C ATOM 1562 O LEU A 49 0.766 -4.063 32.735 1.00 0.00 O ATOM 1563 CB LEU A 49 0.505 -2.238 35.129 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.074 -1.100 35.978 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.054 -0.460 36.793 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -0.714 -0.036 35.075 1.00 0.00 C ATOM 0 H LEU A 49 -1.518 -3.171 36.260 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.017 -2.233 33.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.013 -2.958 35.771 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.251 -1.843 34.440 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.836 -1.503 36.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.650 0.351 37.400 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.504 -1.210 37.443 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.812 -0.064 36.117 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.121 0.766 35.690 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.040 0.371 34.401 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.516 -0.488 34.492 1.00 0.00 H new ATOM 1578 N SER A 50 -0.462 -5.335 34.046 1.00 0.00 N ATOM 1579 CA SER A 50 0.049 -6.585 33.416 1.00 0.00 C ATOM 1580 C SER A 50 -0.257 -6.577 31.916 1.00 0.00 C ATOM 1581 O SER A 50 0.323 -7.326 31.155 1.00 0.00 O ATOM 1582 CB SER A 50 -0.629 -7.794 34.061 1.00 0.00 C ATOM 1583 OG SER A 50 -0.532 -7.688 35.476 1.00 0.00 O ATOM 0 H SER A 50 -1.139 -5.476 34.796 1.00 0.00 H new ATOM 0 HA SER A 50 1.127 -6.643 33.564 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.675 -7.842 33.759 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.156 -8.715 33.721 1.00 0.00 H new ATOM 0 HG SER A 50 -0.967 -8.461 35.893 1.00 0.00 H new ATOM 1589 N LEU A 51 -1.165 -5.747 31.480 1.00 0.00 N ATOM 1590 CA LEU A 51 -1.493 -5.715 30.026 1.00 0.00 C ATOM 1591 C LEU A 51 -0.326 -5.087 29.257 1.00 0.00 C ATOM 1592 O LEU A 51 -0.049 -5.459 28.134 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.760 -4.885 29.791 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.973 -5.565 30.442 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -5.179 -4.626 30.344 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -4.295 -6.893 29.737 1.00 0.00 C ATOM 0 H LEU A 51 -1.690 -5.095 32.062 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.663 -6.733 29.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.630 -3.885 30.205 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.932 -4.767 28.721 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.745 -5.777 31.486 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.047 -5.099 30.804 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.957 -3.693 30.863 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.393 -4.416 29.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.158 -7.358 30.214 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.519 -6.703 28.687 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.436 -7.561 29.809 1.00 0.00 H new ATOM 1608 N LYS A 52 0.371 -4.149 29.845 1.00 0.00 N ATOM 1609 CA LYS A 52 1.522 -3.529 29.126 1.00 0.00 C ATOM 1610 C LYS A 52 2.517 -4.628 28.748 1.00 0.00 C ATOM 1611 O LYS A 52 2.528 -5.694 29.329 1.00 0.00 O ATOM 1612 CB LYS A 52 2.227 -2.491 30.012 1.00 0.00 C ATOM 1613 CG LYS A 52 3.390 -1.864 29.227 1.00 0.00 C ATOM 1614 CD LYS A 52 4.082 -0.775 30.051 1.00 0.00 C ATOM 1615 CE LYS A 52 5.098 -1.405 31.014 1.00 0.00 C ATOM 1616 NZ LYS A 52 6.087 -2.211 30.243 1.00 0.00 N ATOM 0 H LYS A 52 0.195 -3.789 30.783 1.00 0.00 H new ATOM 0 HA LYS A 52 1.150 -3.025 28.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.522 -1.719 30.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.599 -2.964 30.921 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.111 -2.636 28.959 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.017 -1.439 28.295 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.586 -0.072 29.388 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.340 -0.207 30.613 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.610 -0.626 31.579 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.584 -2.037 31.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.013 -2.168 30.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.768 -3.200 30.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.171 -1.828 29.280 1.00 0.00 H new ATOM 1630 N THR A 53 3.374 -4.364 27.798 1.00 0.00 N ATOM 1631 CA THR A 53 4.399 -5.373 27.398 1.00 0.00 C ATOM 1632 C THR A 53 5.708 -4.669 27.059 1.00 0.00 C ATOM 1633 O THR A 53 5.723 -3.537 26.617 1.00 0.00 O ATOM 1634 CB THR A 53 3.928 -6.150 26.172 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.052 -6.740 25.533 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.218 -5.204 25.200 1.00 0.00 C ATOM 0 H THR A 53 3.408 -3.487 27.278 1.00 0.00 H new ATOM 0 HA THR A 53 4.549 -6.062 28.229 1.00 0.00 H new ATOM 0 HB THR A 53 3.232 -6.930 26.480 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.755 -7.242 24.745 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.884 -5.764 24.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.357 -4.754 25.694 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.907 -4.420 24.887 1.00 0.00 H new ATOM 1644 N ASP A 54 6.808 -5.332 27.272 1.00 0.00 N ATOM 1645 CA ASP A 54 8.130 -4.709 26.971 1.00 0.00 C ATOM 1646 C ASP A 54 8.446 -4.871 25.484 1.00 0.00 C ATOM 1647 O ASP A 54 9.410 -4.325 24.986 1.00 0.00 O ATOM 1648 CB ASP A 54 9.224 -5.406 27.788 1.00 0.00 C ATOM 1649 CG ASP A 54 9.083 -5.041 29.267 1.00 0.00 C ATOM 1650 OD1 ASP A 54 8.537 -3.988 29.549 1.00 0.00 O ATOM 1651 OD2 ASP A 54 9.526 -5.823 30.092 1.00 0.00 O ATOM 0 H ASP A 54 6.851 -6.281 27.643 1.00 0.00 H new ATOM 0 HA ASP A 54 8.093 -3.651 27.229 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.151 -6.486 27.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.207 -5.109 27.423 1.00 0.00 H new ATOM 1656 N VAL A 55 7.634 -5.610 24.769 1.00 0.00 N ATOM 1657 CA VAL A 55 7.874 -5.809 23.306 1.00 0.00 C ATOM 1658 C VAL A 55 6.775 -5.105 22.510 1.00 0.00 C ATOM 1659 O VAL A 55 5.600 -5.314 22.740 1.00 0.00 O ATOM 1660 CB VAL A 55 7.846 -7.303 22.979 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.092 -7.495 21.481 1.00 0.00 C ATOM 1662 CG2 VAL A 55 8.937 -8.028 23.775 1.00 0.00 C ATOM 0 H VAL A 55 6.811 -6.086 25.138 1.00 0.00 H new ATOM 0 HA VAL A 55 8.847 -5.394 23.042 1.00 0.00 H new ATOM 0 HB VAL A 55 6.874 -7.716 23.247 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.073 -8.558 21.243 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.314 -6.982 20.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.065 -7.081 21.216 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.913 -9.092 23.539 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.912 -7.619 23.511 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.762 -7.889 24.842 1.00 0.00 H new ATOM 1672 N ILE A 56 7.156 -4.279 21.570 1.00 0.00 N ATOM 1673 CA ILE A 56 6.161 -3.547 20.727 1.00 0.00 C ATOM 1674 C ILE A 56 6.368 -3.931 19.260 1.00 0.00 C ATOM 1675 O ILE A 56 7.470 -3.914 18.751 1.00 0.00 O ATOM 1676 CB ILE A 56 6.345 -2.038 20.905 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.115 -1.679 22.376 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.338 -1.287 20.032 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.499 -0.220 22.626 1.00 0.00 C ATOM 0 H ILE A 56 8.131 -4.077 21.347 1.00 0.00 H new ATOM 0 HA ILE A 56 5.150 -3.817 21.033 1.00 0.00 H new ATOM 0 HB ILE A 56 7.355 -1.755 20.608 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.069 -1.838 22.638 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.707 -2.334 23.015 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.473 -0.213 20.162 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.497 -1.548 18.986 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.325 -1.563 20.325 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.332 0.026 23.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.551 -0.074 22.382 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.888 0.430 21.999 1.00 0.00 H new ATOM 1691 N LYS A 57 5.310 -4.279 18.580 1.00 0.00 N ATOM 1692 CA LYS A 57 5.434 -4.666 17.145 1.00 0.00 C ATOM 1693 C LYS A 57 5.497 -3.403 16.283 1.00 0.00 C ATOM 1694 O LYS A 57 4.706 -2.495 16.440 1.00 0.00 O ATOM 1695 CB LYS A 57 4.223 -5.510 16.738 1.00 0.00 C ATOM 1696 CG LYS A 57 4.427 -6.042 15.316 1.00 0.00 C ATOM 1697 CD LYS A 57 3.220 -6.886 14.882 1.00 0.00 C ATOM 1698 CE LYS A 57 3.036 -8.089 15.815 1.00 0.00 C ATOM 1699 NZ LYS A 57 4.365 -8.624 16.226 1.00 0.00 N ATOM 0 H LYS A 57 4.363 -4.312 18.957 1.00 0.00 H new ATOM 0 HA LYS A 57 6.344 -5.249 17.000 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.094 -6.340 17.433 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.315 -4.909 16.786 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.564 -5.210 14.626 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.334 -6.644 15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.319 -6.272 14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.361 -7.232 13.858 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.466 -7.793 16.696 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.462 -8.866 15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.257 -9.603 16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.013 -8.606 15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.754 -8.037 16.992 1.00 0.00 H new ATOM 1713 N LYS A 58 6.422 -3.345 15.362 1.00 0.00 N ATOM 1714 CA LYS A 58 6.519 -2.147 14.480 1.00 0.00 C ATOM 1715 C LYS A 58 5.513 -2.303 13.338 1.00 0.00 C ATOM 1716 O LYS A 58 5.465 -3.329 12.688 1.00 0.00 O ATOM 1717 CB LYS A 58 7.935 -2.036 13.902 1.00 0.00 C ATOM 1718 CG LYS A 58 8.930 -1.732 15.026 1.00 0.00 C ATOM 1719 CD LYS A 58 10.358 -1.658 14.462 1.00 0.00 C ATOM 1720 CE LYS A 58 10.558 -0.388 13.626 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.971 0.790 14.327 1.00 0.00 N ATOM 0 H LYS A 58 7.113 -4.074 15.183 1.00 0.00 H new ATOM 0 HA LYS A 58 6.302 -1.247 15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.208 -2.966 13.403 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.970 -1.248 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.671 -0.788 15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.873 -2.505 15.792 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.077 -1.674 15.281 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.555 -2.536 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.621 -0.223 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.089 -0.510 12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.377 1.664 13.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.940 0.796 14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.186 0.732 15.343 1.00 0.00 H new ATOM 1735 N ARG A 59 4.709 -1.301 13.081 1.00 0.00 N ATOM 1736 CA ARG A 59 3.707 -1.403 11.974 1.00 0.00 C ATOM 1737 C ARG A 59 4.244 -0.678 10.741 1.00 0.00 C ATOM 1738 O ARG A 59 5.256 -0.009 10.791 1.00 0.00 O ATOM 1739 CB ARG A 59 2.371 -0.787 12.396 1.00 0.00 C ATOM 1740 CG ARG A 59 1.810 -1.539 13.610 1.00 0.00 C ATOM 1741 CD ARG A 59 0.304 -1.280 13.727 1.00 0.00 C ATOM 1742 NE ARG A 59 0.038 0.185 13.737 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.165 0.629 13.486 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -2.128 -0.213 13.227 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.406 1.912 13.494 1.00 0.00 N ATOM 0 H ARG A 59 4.703 -0.417 13.590 1.00 0.00 H new ATOM 0 HA ARG A 59 3.542 -2.455 11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.507 0.266 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.662 -0.833 11.569 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.998 -2.608 13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.317 -1.212 14.518 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.219 -1.747 12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.082 -1.734 14.640 1.00 0.00 H new ATOM 0 HE ARG A 59 0.793 0.840 13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.941 -1.216 13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.068 0.132 13.031 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.654 2.571 13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.346 2.256 13.298 1.00 0.00 H new ATOM 1759 N ASN A 60 3.590 -0.839 9.624 1.00 0.00 N ATOM 1760 CA ASN A 60 4.074 -0.197 8.369 1.00 0.00 C ATOM 1761 C ASN A 60 3.650 1.270 8.304 1.00 0.00 C ATOM 1762 O ASN A 60 3.289 1.878 9.292 1.00 0.00 O ATOM 1763 CB ASN A 60 3.507 -0.951 7.161 1.00 0.00 C ATOM 1764 CG ASN A 60 2.008 -0.674 7.014 1.00 0.00 C ATOM 1765 OD1 ASN A 60 1.357 -0.259 7.952 1.00 0.00 O ATOM 1766 ND2 ASN A 60 1.430 -0.889 5.861 1.00 0.00 N ATOM 0 H ASN A 60 2.737 -1.390 9.526 1.00 0.00 H new ATOM 0 HA ASN A 60 5.163 -0.239 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.030 -0.645 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.675 -2.021 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.432 -0.708 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.977 -1.237 5.074 1.00 0.00 H new