USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 81 HIS : no HD1:sc= 0.469 K(o=-0.17,f=-6.6!) USER MOD Set 1.2: A 124 TYR OH : rot 91:sc= -0.635! USER MOD Set 2.1: A 74 CYS SG : rot -36:sc= -0.22 USER MOD Set 2.2: A 78 THR OG1 : rot -29:sc= 2.31 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 141:sc= 1.32 (180deg=0.53) USER MOD Single : A 63 ASN : amide:sc= -4.01! K(o=-4!,f=-0.92) USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 1.27 (180deg=1.03) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0.955 (180deg=0.69) USER MOD Single : A 76 MET CE :methyl -133:sc= -1.45 (180deg=-5.13!) USER MOD Single : A 77 GLN : amide:sc= -4.08! C(o=-4.1!,f=-3.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.03! K(o=-1!,f=-0.044) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 93 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.05) USER MOD Single : A 96 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-4.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00354 USER MOD Single : A 106 CYS SG : rot 174:sc= 0.847 USER MOD Single : A 107 ASN : amide:sc= 0.725 K(o=0.73,f=-0.16) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -161:sc= -0.0228 (180deg=-0.244) USER MOD Single : A 126 TYR OH : rot 130:sc= 1.27 USER MOD Single : A 128 ASN : amide:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 131 CYS SG : rot 157:sc= -1.44 USER MOD Single : A 132 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 135 LYS NZ :NH3+ 164:sc= -0.194 (180deg=-0.561) USER MOD Single : A 137 HIS : no HD1:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 138 SER OG : rot -64:sc= 0.0441 USER MOD Single : B 27 SER OG : rot 31:sc= 0.355 USER MOD Single : B 29 SER OG : rot 180:sc= 0.0622 USER MOD Single : B 33 GLN : amide:sc= 0.823 K(o=0.82,f=-0.13) USER MOD Single : B 34 TYR OH : rot 3:sc= 1.45 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.550 5.956 -0.643 1.00 0.57 N ATOM 118 CA TYR A 59 -13.343 6.760 -0.703 1.00 0.44 C ATOM 119 C TYR A 59 -12.491 6.408 -1.902 1.00 0.41 C ATOM 120 O TYR A 59 -11.309 6.729 -1.925 1.00 0.42 O ATOM 121 CB TYR A 59 -12.530 6.607 0.577 1.00 0.66 C ATOM 122 CG TYR A 59 -13.102 7.395 1.719 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.199 6.923 2.400 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.553 8.608 2.107 1.00 1.06 C ATOM 125 CE1 TYR A 59 -14.749 7.633 3.447 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.092 9.329 3.153 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.190 8.837 3.821 1.00 1.34 C ATOM 128 OH TYR A 59 -14.733 9.550 4.863 1.00 1.64 O ATOM 0 HA TYR A 59 -13.654 7.800 -0.807 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.487 5.553 0.852 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.505 6.931 0.394 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.638 5.980 2.110 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.691 8.994 1.583 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -15.612 7.248 3.970 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -12.655 10.273 3.445 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.220 10.374 4.998 1.00 1.64 H new ATOM 138 N LYS A 60 -13.100 5.762 -2.897 1.00 0.42 N ATOM 139 CA LYS A 60 -12.392 5.365 -4.116 1.00 0.43 C ATOM 140 C LYS A 60 -11.574 6.523 -4.669 1.00 0.40 C ATOM 141 O LYS A 60 -10.372 6.397 -4.888 1.00 0.41 O ATOM 142 CB LYS A 60 -13.387 4.877 -5.173 1.00 0.52 C ATOM 143 CG LYS A 60 -12.759 4.641 -6.538 1.00 1.16 C ATOM 144 CD LYS A 60 -13.775 4.094 -7.524 1.00 1.35 C ATOM 145 CE LYS A 60 -13.245 4.106 -8.950 1.00 1.75 C ATOM 146 NZ LYS A 60 -11.988 3.326 -9.099 1.00 2.29 N ATOM 0 H LYS A 60 -14.086 5.501 -2.883 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.712 4.551 -3.864 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.845 3.950 -4.828 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.187 5.610 -5.272 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.347 5.576 -6.918 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.928 3.942 -6.443 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.040 3.075 -7.244 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.688 4.687 -7.471 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.003 3.698 -9.619 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.068 5.136 -9.259 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.004 2.811 -10.002 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -11.174 3.973 -9.084 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.905 2.648 -8.315 1.00 2.29 H new ATOM 160 N LEU A 61 -12.240 7.653 -4.862 1.00 0.45 N ATOM 161 CA LEU A 61 -11.596 8.869 -5.340 1.00 0.49 C ATOM 162 C LEU A 61 -10.355 9.205 -4.510 1.00 0.38 C ATOM 163 O LEU A 61 -9.300 9.530 -5.054 1.00 0.41 O ATOM 164 CB LEU A 61 -12.582 10.050 -5.303 1.00 0.62 C ATOM 165 CG LEU A 61 -13.205 10.365 -3.934 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.706 11.794 -3.895 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.353 9.420 -3.609 1.00 0.81 C ATOM 0 H LEU A 61 -13.241 7.753 -4.692 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.283 8.694 -6.369 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.064 10.941 -5.658 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.388 9.847 -6.009 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.424 10.230 -3.185 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.144 11.999 -2.918 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.874 12.476 -4.070 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.461 11.936 -4.668 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.768 9.674 -2.634 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.128 9.515 -4.369 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.986 8.394 -3.591 1.00 0.81 H new ATOM 179 N GLU A 62 -10.490 9.109 -3.194 1.00 0.33 N ATOM 180 CA GLU A 62 -9.411 9.426 -2.284 1.00 0.30 C ATOM 181 C GLU A 62 -8.201 8.525 -2.447 1.00 0.26 C ATOM 182 O GLU A 62 -7.105 9.011 -2.688 1.00 0.32 O ATOM 183 CB GLU A 62 -9.912 9.340 -0.877 1.00 0.41 C ATOM 184 CG GLU A 62 -10.697 10.555 -0.507 1.00 0.50 C ATOM 185 CD GLU A 62 -9.999 11.848 -0.886 1.00 1.29 C ATOM 186 OE1 GLU A 62 -8.834 12.047 -0.472 1.00 1.51 O ATOM 187 OE2 GLU A 62 -10.605 12.669 -1.597 1.00 2.00 O ATOM 0 H GLU A 62 -11.350 8.810 -2.734 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.082 10.438 -2.521 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.535 8.453 -0.764 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.070 9.227 -0.195 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.670 10.516 -0.997 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -10.881 10.549 0.567 1.00 0.50 H new ATOM 194 N ASN A 63 -8.406 7.218 -2.354 1.00 0.24 N ATOM 195 CA ASN A 63 -7.280 6.281 -2.295 1.00 0.23 C ATOM 196 C ASN A 63 -6.541 6.188 -3.616 1.00 0.21 C ATOM 197 O ASN A 63 -5.388 5.771 -3.644 1.00 0.22 O ATOM 198 CB ASN A 63 -7.710 4.882 -1.840 1.00 0.33 C ATOM 199 CG ASN A 63 -8.903 4.334 -2.584 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.787 3.790 -3.682 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.053 4.438 -1.958 1.00 0.90 N ATOM 0 H ASN A 63 -9.327 6.782 -2.318 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.598 6.688 -1.548 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.871 4.197 -1.964 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.941 4.913 -0.775 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.900 4.059 -2.381 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.099 4.898 -1.049 1.00 0.90 H new ATOM 208 N GLU A 64 -7.180 6.584 -4.704 1.00 0.23 N ATOM 209 CA GLU A 64 -6.500 6.613 -5.983 1.00 0.29 C ATOM 210 C GLU A 64 -5.459 7.724 -5.986 1.00 0.29 C ATOM 211 O GLU A 64 -4.310 7.510 -6.371 1.00 0.35 O ATOM 212 CB GLU A 64 -7.499 6.798 -7.118 1.00 0.38 C ATOM 213 CG GLU A 64 -8.574 5.730 -7.142 1.00 0.41 C ATOM 214 CD GLU A 64 -9.335 5.685 -8.448 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.633 6.758 -9.011 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.643 4.569 -8.916 1.00 0.88 O ATOM 0 H GLU A 64 -8.154 6.885 -4.726 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.994 5.660 -6.139 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -7.969 7.777 -7.024 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.966 6.790 -8.069 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.116 4.758 -6.961 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.274 5.909 -6.326 1.00 0.41 H new ATOM 223 N LYS A 65 -5.865 8.904 -5.524 1.00 0.27 N ATOM 224 CA LYS A 65 -4.943 10.023 -5.362 1.00 0.30 C ATOM 225 C LYS A 65 -3.976 9.720 -4.230 1.00 0.23 C ATOM 226 O LYS A 65 -2.776 9.948 -4.325 1.00 0.30 O ATOM 227 CB LYS A 65 -5.703 11.297 -5.021 1.00 0.39 C ATOM 228 CG LYS A 65 -6.889 11.575 -5.911 1.00 0.65 C ATOM 229 CD LYS A 65 -7.673 12.780 -5.418 1.00 1.23 C ATOM 230 CE LYS A 65 -8.269 12.530 -4.039 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.948 13.734 -3.493 1.00 2.98 N ATOM 0 H LYS A 65 -6.827 9.109 -5.255 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.403 10.164 -6.298 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.046 11.235 -3.988 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.016 12.141 -5.078 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.548 11.752 -6.931 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.539 10.701 -5.939 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.019 13.651 -5.381 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.471 13.011 -6.124 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.982 11.708 -4.097 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.479 12.219 -3.355 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.797 13.445 -2.967 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -8.300 14.238 -2.854 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.222 14.362 -4.275 1.00 2.98 H new ATOM 245 N LEU A 66 -4.537 9.198 -3.158 1.00 0.16 N ATOM 246 CA LEU A 66 -3.804 8.882 -1.950 1.00 0.15 C ATOM 247 C LEU A 66 -2.663 7.904 -2.197 1.00 0.15 C ATOM 248 O LEU A 66 -1.529 8.147 -1.785 1.00 0.18 O ATOM 249 CB LEU A 66 -4.780 8.303 -0.942 1.00 0.15 C ATOM 250 CG LEU A 66 -4.891 9.099 0.334 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.121 8.685 1.128 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.619 8.909 1.123 1.00 0.22 C ATOM 0 H LEU A 66 -5.531 8.978 -3.101 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.349 9.798 -1.572 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.765 8.237 -1.403 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.473 7.286 -0.698 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.015 10.158 0.107 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.178 9.274 2.044 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.015 8.857 0.529 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.052 7.627 1.381 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.678 9.477 2.051 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.488 7.852 1.353 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.771 9.261 0.536 1.00 0.22 H new ATOM 264 N PHE A 67 -2.974 6.790 -2.837 1.00 0.14 N ATOM 265 CA PHE A 67 -1.974 5.787 -3.156 1.00 0.15 C ATOM 266 C PHE A 67 -0.823 6.392 -3.953 1.00 0.17 C ATOM 267 O PHE A 67 0.346 6.139 -3.656 1.00 0.20 O ATOM 268 CB PHE A 67 -2.602 4.633 -3.936 1.00 0.15 C ATOM 269 CG PHE A 67 -1.910 3.333 -3.695 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.817 2.950 -4.452 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.351 2.499 -2.691 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.177 1.751 -4.207 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.721 1.299 -2.439 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.630 0.922 -3.197 1.00 0.19 C ATOM 0 H PHE A 67 -3.917 6.557 -3.147 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.575 5.403 -2.217 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.651 4.539 -3.656 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.575 4.862 -5.001 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.461 3.595 -5.242 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.202 2.789 -2.093 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.676 1.461 -4.803 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.080 0.655 -1.650 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.132 -0.017 -3.002 1.00 0.19 H new ATOM 284 N GLU A 68 -1.143 7.211 -4.949 1.00 0.18 N ATOM 285 CA GLU A 68 -0.102 7.813 -5.761 1.00 0.23 C ATOM 286 C GLU A 68 0.655 8.890 -4.985 1.00 0.19 C ATOM 287 O GLU A 68 1.807 9.150 -5.285 1.00 0.24 O ATOM 288 CB GLU A 68 -0.627 8.353 -7.094 1.00 0.40 C ATOM 289 CG GLU A 68 -1.718 9.375 -6.959 1.00 0.54 C ATOM 290 CD GLU A 68 -2.166 9.936 -8.293 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.860 9.216 -9.046 1.00 1.39 O ATOM 292 OE2 GLU A 68 -1.832 11.102 -8.597 1.00 1.81 O ATOM 0 H GLU A 68 -2.096 7.467 -5.207 1.00 0.18 H new ATOM 0 HA GLU A 68 0.599 7.015 -6.005 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.203 8.795 -7.646 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.998 7.519 -7.690 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.572 8.923 -6.455 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.369 10.191 -6.326 1.00 0.54 H new ATOM 299 N GLU A 69 0.033 9.496 -3.969 1.00 0.19 N ATOM 300 CA GLU A 69 0.751 10.420 -3.097 1.00 0.22 C ATOM 301 C GLU A 69 1.972 9.734 -2.504 1.00 0.20 C ATOM 302 O GLU A 69 3.073 10.285 -2.479 1.00 0.28 O ATOM 303 CB GLU A 69 -0.161 10.887 -1.985 1.00 0.26 C ATOM 304 CG GLU A 69 -1.251 11.797 -2.480 1.00 0.34 C ATOM 305 CD GLU A 69 -0.876 13.257 -2.382 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.249 13.777 -3.328 1.00 1.31 O ATOM 307 OE2 GLU A 69 -1.198 13.890 -1.358 1.00 1.78 O ATOM 0 H GLU A 69 -0.951 9.364 -3.735 1.00 0.19 H new ATOM 0 HA GLU A 69 1.075 11.280 -3.683 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.608 10.021 -1.498 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.428 11.408 -1.230 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.480 11.553 -3.517 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.158 11.619 -1.903 1.00 0.34 H new ATOM 314 N PHE A 70 1.744 8.515 -2.043 1.00 0.15 N ATOM 315 CA PHE A 70 2.785 7.672 -1.486 1.00 0.13 C ATOM 316 C PHE A 70 3.779 7.265 -2.571 1.00 0.13 C ATOM 317 O PHE A 70 4.984 7.277 -2.350 1.00 0.14 O ATOM 318 CB PHE A 70 2.123 6.449 -0.855 1.00 0.12 C ATOM 319 CG PHE A 70 3.031 5.608 -0.011 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.128 4.997 -0.566 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.751 5.394 1.324 1.00 0.11 C ATOM 322 CE1 PHE A 70 4.939 4.183 0.186 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.564 4.588 2.094 1.00 0.11 C ATOM 324 CZ PHE A 70 4.658 3.977 1.522 1.00 0.11 C ATOM 0 H PHE A 70 0.821 8.080 -2.046 1.00 0.15 H new ATOM 0 HA PHE A 70 3.344 8.216 -0.724 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.286 6.782 -0.242 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.709 5.827 -1.649 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.356 5.159 -1.609 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.886 5.863 1.770 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.795 3.705 -0.267 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.344 4.437 3.140 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.294 3.339 2.117 1.00 0.11 H new ATOM 334 N LEU A 71 3.272 6.926 -3.743 1.00 0.14 N ATOM 335 CA LEU A 71 4.107 6.462 -4.834 1.00 0.15 C ATOM 336 C LEU A 71 4.996 7.553 -5.384 1.00 0.16 C ATOM 337 O LEU A 71 6.169 7.332 -5.666 1.00 0.18 O ATOM 338 CB LEU A 71 3.220 5.936 -5.931 1.00 0.17 C ATOM 339 CG LEU A 71 2.555 4.623 -5.599 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.713 4.178 -6.762 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.619 3.606 -5.267 1.00 0.16 C ATOM 0 H LEU A 71 2.277 6.964 -3.963 1.00 0.14 H new ATOM 0 HA LEU A 71 4.759 5.678 -4.449 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.451 6.677 -6.151 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.813 5.814 -6.838 1.00 0.17 H new ATOM 0 HG LEU A 71 1.901 4.735 -4.735 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.233 3.229 -6.522 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.950 4.929 -6.967 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.345 4.052 -7.641 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.149 2.653 -5.025 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.280 3.478 -6.124 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.198 3.952 -4.411 1.00 0.16 H new ATOM 353 N GLU A 72 4.424 8.721 -5.558 1.00 0.16 N ATOM 354 CA GLU A 72 5.158 9.865 -6.055 1.00 0.19 C ATOM 355 C GLU A 72 6.240 10.259 -5.062 1.00 0.18 C ATOM 356 O GLU A 72 7.307 10.738 -5.439 1.00 0.21 O ATOM 357 CB GLU A 72 4.182 10.992 -6.350 1.00 0.24 C ATOM 358 CG GLU A 72 3.161 10.576 -7.398 1.00 0.29 C ATOM 359 CD GLU A 72 3.766 10.439 -8.778 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.387 11.411 -9.257 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.616 9.366 -9.399 1.00 1.17 O ATOM 0 H GLU A 72 3.441 8.907 -5.361 1.00 0.16 H new ATOM 0 HA GLU A 72 5.667 9.621 -6.988 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.669 11.281 -5.433 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.729 11.868 -6.699 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.713 9.626 -7.106 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.357 11.312 -7.429 1.00 0.29 H new ATOM 368 N LEU A 73 5.957 10.021 -3.792 1.00 0.16 N ATOM 369 CA LEU A 73 6.953 10.124 -2.751 1.00 0.16 C ATOM 370 C LEU A 73 7.977 9.001 -2.903 1.00 0.15 C ATOM 371 O LEU A 73 9.183 9.232 -2.829 1.00 0.18 O ATOM 372 CB LEU A 73 6.255 10.021 -1.396 1.00 0.16 C ATOM 373 CG LEU A 73 7.161 9.773 -0.199 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.453 11.071 0.534 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.510 8.755 0.716 1.00 0.16 C ATOM 0 H LEU A 73 5.031 9.752 -3.459 1.00 0.16 H new ATOM 0 HA LEU A 73 7.473 11.079 -2.824 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.701 10.944 -1.223 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.523 9.215 -1.446 1.00 0.16 H new ATOM 0 HG LEU A 73 8.116 9.376 -0.543 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.102 10.870 1.386 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.948 11.768 -0.143 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.519 11.509 0.885 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.155 8.573 1.576 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.548 9.136 1.058 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.358 7.822 0.173 1.00 0.16 H new ATOM 387 N CYS A 74 7.482 7.787 -3.143 1.00 0.13 N ATOM 388 CA CYS A 74 8.327 6.613 -3.269 1.00 0.13 C ATOM 389 C CYS A 74 9.306 6.773 -4.434 1.00 0.15 C ATOM 390 O CYS A 74 10.449 6.340 -4.346 1.00 0.18 O ATOM 391 CB CYS A 74 7.447 5.375 -3.458 1.00 0.16 C ATOM 392 SG CYS A 74 8.310 3.803 -3.278 1.00 0.50 S ATOM 0 H CYS A 74 6.486 7.596 -3.254 1.00 0.13 H new ATOM 0 HA CYS A 74 8.916 6.494 -2.360 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.632 5.411 -2.735 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.996 5.415 -4.449 1.00 0.16 H new ATOM 0 HG CYS A 74 9.509 3.908 -3.769 1.00 0.50 H new ATOM 398 N LYS A 75 8.858 7.422 -5.511 1.00 0.18 N ATOM 399 CA LYS A 75 9.703 7.716 -6.655 1.00 0.22 C ATOM 400 C LYS A 75 10.962 8.487 -6.268 1.00 0.22 C ATOM 401 O LYS A 75 11.970 8.438 -6.967 1.00 0.26 O ATOM 402 CB LYS A 75 8.927 8.523 -7.677 1.00 0.28 C ATOM 403 CG LYS A 75 8.660 7.718 -8.917 1.00 0.57 C ATOM 404 CD LYS A 75 7.487 6.778 -8.740 1.00 0.61 C ATOM 405 CE LYS A 75 6.153 7.505 -8.823 1.00 0.38 C ATOM 406 NZ LYS A 75 5.943 8.157 -10.142 1.00 0.96 N ATOM 0 H LYS A 75 7.899 7.755 -5.608 1.00 0.18 H new ATOM 0 HA LYS A 75 10.011 6.759 -7.076 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.982 8.852 -7.243 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.488 9.421 -7.937 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.463 8.391 -9.751 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.550 7.143 -9.175 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.525 6.003 -9.506 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.567 6.277 -7.775 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.345 6.797 -8.638 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.103 8.258 -8.037 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.971 8.521 -10.198 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.614 8.944 -10.251 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.097 7.463 -10.901 1.00 0.96 H new ATOM 420 N MET A 76 10.898 9.201 -5.153 1.00 0.22 N ATOM 421 CA MET A 76 12.009 10.029 -4.719 1.00 0.26 C ATOM 422 C MET A 76 12.844 9.263 -3.717 1.00 0.25 C ATOM 423 O MET A 76 14.073 9.242 -3.782 1.00 0.32 O ATOM 424 CB MET A 76 11.504 11.315 -4.053 1.00 0.29 C ATOM 425 CG MET A 76 10.227 11.876 -4.646 1.00 0.27 C ATOM 426 SD MET A 76 9.684 13.383 -3.821 1.00 0.32 S ATOM 427 CE MET A 76 9.397 12.777 -2.158 1.00 0.35 C ATOM 0 H MET A 76 10.088 9.222 -4.534 1.00 0.22 H new ATOM 0 HA MET A 76 12.604 10.290 -5.594 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.341 11.119 -2.993 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.284 12.074 -4.121 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.382 12.082 -5.705 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.439 11.126 -4.579 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.433 13.139 -1.800 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.396 11.687 -2.163 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.187 13.136 -1.498 1.00 0.35 H new ATOM 437 N GLN A 77 12.145 8.620 -2.800 1.00 0.21 N ATOM 438 CA GLN A 77 12.772 7.915 -1.702 1.00 0.22 C ATOM 439 C GLN A 77 13.447 6.642 -2.191 1.00 0.21 C ATOM 440 O GLN A 77 14.658 6.475 -2.048 1.00 0.24 O ATOM 441 CB GLN A 77 11.716 7.546 -0.672 1.00 0.23 C ATOM 442 CG GLN A 77 10.770 8.671 -0.287 1.00 0.30 C ATOM 443 CD GLN A 77 11.373 9.687 0.653 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.571 9.963 0.624 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.533 10.241 1.510 1.00 0.48 N ATOM 0 H GLN A 77 11.126 8.573 -2.797 1.00 0.21 H new ATOM 0 HA GLN A 77 13.525 8.567 -1.259 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.128 6.714 -1.060 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.217 7.190 0.228 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.440 9.180 -1.193 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.883 8.242 0.179 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.547 9.981 1.498 1.00 0.48 H new ATOM 0 HE22 GLN A 77 10.871 10.928 2.184 1.00 0.48 H new ATOM 454 N THR A 78 12.658 5.755 -2.790 1.00 0.18 N ATOM 455 CA THR A 78 13.169 4.492 -3.282 1.00 0.20 C ATOM 456 C THR A 78 13.757 4.681 -4.668 1.00 0.22 C ATOM 457 O THR A 78 13.516 3.893 -5.573 1.00 0.24 O ATOM 458 CB THR A 78 12.067 3.412 -3.326 1.00 0.20 C ATOM 459 OG1 THR A 78 11.082 3.741 -4.311 1.00 0.56 O ATOM 460 CG2 THR A 78 11.397 3.282 -1.972 1.00 0.42 C ATOM 0 H THR A 78 11.659 5.894 -2.944 1.00 0.18 H new ATOM 0 HA THR A 78 13.944 4.153 -2.595 1.00 0.20 H new ATOM 0 HB THR A 78 12.535 2.463 -3.588 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.030 4.715 -4.409 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.623 2.516 -2.021 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.139 3.001 -1.225 1.00 0.42 H new ATOM 0 HG23 THR A 78 10.947 4.236 -1.696 1.00 0.42 H new ATOM 468 N ALA A 79 14.513 5.749 -4.830 1.00 0.25 N ATOM 469 CA ALA A 79 15.201 6.010 -6.075 1.00 0.30 C ATOM 470 C ALA A 79 16.325 4.994 -6.252 1.00 0.34 C ATOM 471 O ALA A 79 16.726 4.668 -7.370 1.00 0.42 O ATOM 472 CB ALA A 79 15.728 7.431 -6.074 1.00 0.32 C ATOM 0 H ALA A 79 14.666 6.453 -4.108 1.00 0.25 H new ATOM 0 HA ALA A 79 14.515 5.907 -6.915 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.247 7.627 -7.012 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.896 8.127 -5.966 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.421 7.562 -5.243 1.00 0.32 H new ATOM 478 N ASP A 80 16.804 4.491 -5.119 1.00 0.35 N ATOM 479 CA ASP A 80 17.806 3.431 -5.080 1.00 0.44 C ATOM 480 C ASP A 80 17.184 2.101 -5.486 1.00 0.38 C ATOM 481 O ASP A 80 17.860 1.203 -5.983 1.00 0.44 O ATOM 482 CB ASP A 80 18.371 3.287 -3.663 1.00 0.59 C ATOM 483 CG ASP A 80 18.967 4.564 -3.105 1.00 1.31 C ATOM 484 OD1 ASP A 80 18.247 5.581 -3.013 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.147 4.545 -2.705 1.00 1.68 O ATOM 0 H ASP A 80 16.506 4.809 -4.197 1.00 0.35 H new ATOM 0 HA ASP A 80 18.604 3.695 -5.774 1.00 0.44 H new ATOM 0 HB2 ASP A 80 17.576 2.948 -2.998 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.137 2.511 -3.665 1.00 0.59 H new ATOM 490 N HIS A 81 15.885 1.985 -5.248 1.00 0.35 N ATOM 491 CA HIS A 81 15.148 0.749 -5.482 1.00 0.39 C ATOM 492 C HIS A 81 13.785 1.066 -6.094 1.00 0.34 C ATOM 493 O HIS A 81 12.757 0.886 -5.444 1.00 0.30 O ATOM 494 CB HIS A 81 14.937 0.008 -4.155 1.00 0.49 C ATOM 495 CG HIS A 81 16.197 -0.290 -3.403 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.515 0.278 -2.187 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.212 -1.120 -3.698 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.675 -0.193 -1.776 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.120 -1.045 -2.675 1.00 1.12 N ATOM 0 H HIS A 81 15.310 2.746 -4.886 1.00 0.35 H new ATOM 0 HA HIS A 81 15.722 0.123 -6.165 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.283 0.605 -3.520 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.418 -0.929 -4.355 1.00 0.49 H new ATOM 0 HD2 HIS A 81 17.297 -1.735 -4.582 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.176 0.075 -0.857 1.00 2.11 H new ATOM 0 HE2 HIS A 81 18.996 -1.564 -2.619 1.00 1.12 H new ATOM 508 N PRO A 82 13.754 1.544 -7.350 1.00 0.39 N ATOM 509 CA PRO A 82 12.524 2.042 -7.990 1.00 0.39 C ATOM 510 C PRO A 82 11.537 0.940 -8.384 1.00 0.35 C ATOM 511 O PRO A 82 10.635 1.166 -9.188 1.00 0.39 O ATOM 512 CB PRO A 82 13.055 2.749 -9.231 1.00 0.50 C ATOM 513 CG PRO A 82 14.302 2.023 -9.566 1.00 0.53 C ATOM 514 CD PRO A 82 14.914 1.655 -8.253 1.00 0.48 C ATOM 0 HA PRO A 82 11.951 2.674 -7.312 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.338 2.705 -10.050 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.250 3.803 -9.034 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.091 1.136 -10.163 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.976 2.649 -10.151 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.464 0.716 -8.316 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.617 2.415 -7.911 1.00 0.48 H new ATOM 522 N GLU A 83 11.706 -0.242 -7.815 1.00 0.29 N ATOM 523 CA GLU A 83 10.829 -1.367 -8.114 1.00 0.26 C ATOM 524 C GLU A 83 9.628 -1.369 -7.173 1.00 0.19 C ATOM 525 O GLU A 83 8.617 -2.019 -7.437 1.00 0.22 O ATOM 526 CB GLU A 83 11.607 -2.683 -8.013 1.00 0.33 C ATOM 527 CG GLU A 83 12.891 -2.672 -8.831 1.00 0.49 C ATOM 528 CD GLU A 83 13.615 -4.003 -8.834 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.305 -4.847 -9.700 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.514 -4.200 -7.984 1.00 2.05 O ATOM 0 H GLU A 83 12.444 -0.450 -7.142 1.00 0.29 H new ATOM 0 HA GLU A 83 10.459 -1.265 -9.134 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.849 -2.878 -6.968 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.973 -3.502 -8.352 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.656 -2.392 -9.858 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.558 -1.905 -8.436 1.00 0.49 H new ATOM 537 N VAL A 84 9.755 -0.620 -6.084 1.00 0.15 N ATOM 538 CA VAL A 84 8.706 -0.496 -5.077 1.00 0.11 C ATOM 539 C VAL A 84 7.408 0.053 -5.660 1.00 0.11 C ATOM 540 O VAL A 84 6.344 -0.547 -5.526 1.00 0.13 O ATOM 541 CB VAL A 84 9.149 0.472 -3.980 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.131 0.488 -2.872 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.529 0.119 -3.462 1.00 0.14 C ATOM 0 H VAL A 84 10.593 -0.078 -5.873 1.00 0.15 H new ATOM 0 HA VAL A 84 8.532 -1.498 -4.686 1.00 0.11 H new ATOM 0 HB VAL A 84 9.214 1.475 -4.402 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.452 1.180 -2.093 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.167 0.809 -3.268 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.035 -0.513 -2.451 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.817 0.825 -2.683 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.516 -0.890 -3.050 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.248 0.168 -4.280 1.00 0.14 H new ATOM 553 N VAL A 85 7.521 1.215 -6.283 1.00 0.11 N ATOM 554 CA VAL A 85 6.377 1.920 -6.863 1.00 0.13 C ATOM 555 C VAL A 85 5.563 1.017 -7.800 1.00 0.15 C ATOM 556 O VAL A 85 4.365 0.835 -7.584 1.00 0.16 O ATOM 557 CB VAL A 85 6.844 3.184 -7.610 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.669 4.054 -8.007 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.823 3.961 -6.751 1.00 0.15 C ATOM 0 H VAL A 85 8.409 1.702 -6.404 1.00 0.11 H new ATOM 0 HA VAL A 85 5.725 2.214 -6.041 1.00 0.13 H new ATOM 0 HB VAL A 85 7.347 2.875 -8.526 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.032 4.938 -8.532 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.004 3.491 -8.661 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.125 4.361 -7.114 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.148 4.853 -7.286 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.338 4.253 -5.820 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.688 3.336 -6.529 1.00 0.15 H new ATOM 569 N PRO A 86 6.188 0.421 -8.842 1.00 0.17 N ATOM 570 CA PRO A 86 5.486 -0.499 -9.739 1.00 0.20 C ATOM 571 C PRO A 86 4.934 -1.721 -9.007 1.00 0.18 C ATOM 572 O PRO A 86 3.929 -2.295 -9.422 1.00 0.20 O ATOM 573 CB PRO A 86 6.546 -0.924 -10.756 1.00 0.23 C ATOM 574 CG PRO A 86 7.627 0.093 -10.655 1.00 0.22 C ATOM 575 CD PRO A 86 7.593 0.609 -9.247 1.00 0.17 C ATOM 0 HA PRO A 86 4.620 -0.019 -10.195 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.924 -1.922 -10.534 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.132 -0.957 -11.764 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.597 -0.348 -10.884 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.468 0.901 -11.369 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.274 0.055 -8.601 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.888 1.657 -9.197 1.00 0.17 H new ATOM 583 N PHE A 87 5.597 -2.123 -7.923 1.00 0.16 N ATOM 584 CA PHE A 87 5.109 -3.222 -7.097 1.00 0.15 C ATOM 585 C PHE A 87 3.792 -2.822 -6.436 1.00 0.14 C ATOM 586 O PHE A 87 2.790 -3.534 -6.539 1.00 0.16 O ATOM 587 CB PHE A 87 6.150 -3.598 -6.027 1.00 0.17 C ATOM 588 CG PHE A 87 5.798 -4.802 -5.190 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.649 -5.534 -5.431 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.634 -5.204 -4.167 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.340 -6.641 -4.672 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.329 -6.311 -3.399 1.00 0.25 C ATOM 593 CZ PHE A 87 5.181 -7.031 -3.653 1.00 0.38 C ATOM 0 H PHE A 87 6.469 -1.705 -7.599 1.00 0.16 H new ATOM 0 HA PHE A 87 4.942 -4.093 -7.731 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.104 -3.783 -6.520 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.293 -2.744 -5.365 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.984 -5.233 -6.227 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.537 -4.647 -3.965 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.440 -7.202 -4.875 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.990 -6.612 -2.600 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.942 -7.898 -3.055 1.00 0.38 H new ATOM 603 N LEU A 88 3.801 -1.677 -5.767 1.00 0.12 N ATOM 604 CA LEU A 88 2.610 -1.174 -5.100 1.00 0.13 C ATOM 605 C LEU A 88 1.461 -1.009 -6.086 1.00 0.14 C ATOM 606 O LEU A 88 0.322 -1.372 -5.785 1.00 0.16 O ATOM 607 CB LEU A 88 2.911 0.148 -4.400 1.00 0.13 C ATOM 608 CG LEU A 88 3.928 0.055 -3.267 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.835 1.293 -2.389 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.700 -1.218 -2.458 1.00 0.20 C ATOM 0 H LEU A 88 4.622 -1.079 -5.672 1.00 0.12 H new ATOM 0 HA LEU A 88 2.307 -1.904 -4.349 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.277 0.860 -5.140 1.00 0.13 H new ATOM 0 HB3 LEU A 88 1.980 0.552 -4.002 1.00 0.13 H new ATOM 0 HG LEU A 88 4.933 0.008 -3.685 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.563 1.222 -1.581 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.043 2.180 -2.988 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.832 1.366 -1.968 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.432 -1.273 -1.652 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.695 -1.205 -2.035 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.809 -2.086 -3.108 1.00 0.20 H new ATOM 622 N TYR A 89 1.771 -0.476 -7.266 1.00 0.16 N ATOM 623 CA TYR A 89 0.786 -0.386 -8.347 1.00 0.20 C ATOM 624 C TYR A 89 0.203 -1.760 -8.640 1.00 0.21 C ATOM 625 O TYR A 89 -1.014 -1.948 -8.690 1.00 0.25 O ATOM 626 CB TYR A 89 1.416 0.123 -9.647 1.00 0.22 C ATOM 627 CG TYR A 89 1.537 1.620 -9.786 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.410 2.415 -9.949 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.781 2.235 -9.802 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.520 3.782 -10.117 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.899 3.598 -9.978 1.00 0.37 C ATOM 632 CZ TYR A 89 1.768 4.368 -10.132 1.00 0.43 C ATOM 633 OH TYR A 89 1.891 5.726 -10.315 1.00 0.54 O ATOM 0 H TYR A 89 2.690 -0.101 -7.499 1.00 0.16 H new ATOM 0 HA TYR A 89 0.016 0.309 -8.013 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.412 -0.311 -9.738 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.827 -0.252 -10.483 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.568 1.957 -9.944 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.671 1.637 -9.675 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.366 4.388 -10.236 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.875 4.060 -9.995 1.00 0.37 H new ATOM 0 HH TYR A 89 2.839 5.974 -10.298 1.00 0.54 H new ATOM 643 N ASN A 90 1.108 -2.714 -8.817 1.00 0.19 N ATOM 644 CA ASN A 90 0.769 -4.067 -9.231 1.00 0.23 C ATOM 645 C ASN A 90 -0.131 -4.742 -8.202 1.00 0.22 C ATOM 646 O ASN A 90 -1.144 -5.344 -8.550 1.00 0.27 O ATOM 647 CB ASN A 90 2.057 -4.875 -9.410 1.00 0.27 C ATOM 648 CG ASN A 90 1.915 -6.064 -10.340 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.874 -6.467 -10.998 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.733 -6.641 -10.399 1.00 0.67 N ATOM 0 H ASN A 90 2.107 -2.568 -8.675 1.00 0.19 H new ATOM 0 HA ASN A 90 0.227 -4.022 -10.175 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.836 -4.217 -9.795 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.391 -5.228 -8.434 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.590 -7.449 -11.004 1.00 0.67 H new ATOM 0 HD22 ASN A 90 -0.039 -6.280 -9.839 1.00 0.67 H new ATOM 657 N ARG A 91 0.238 -4.627 -6.935 1.00 0.19 N ATOM 658 CA ARG A 91 -0.498 -5.283 -5.863 1.00 0.20 C ATOM 659 C ARG A 91 -1.872 -4.653 -5.669 1.00 0.20 C ATOM 660 O ARG A 91 -2.834 -5.356 -5.362 1.00 0.22 O ATOM 661 CB ARG A 91 0.302 -5.250 -4.560 1.00 0.22 C ATOM 662 CG ARG A 91 -0.450 -5.846 -3.382 1.00 0.26 C ATOM 663 CD ARG A 91 -1.041 -7.207 -3.713 1.00 0.36 C ATOM 664 NE ARG A 91 -0.020 -8.246 -3.892 1.00 0.80 N ATOM 665 CZ ARG A 91 0.917 -8.572 -2.990 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.957 -7.996 -1.792 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.811 -9.497 -3.288 1.00 1.25 N ATOM 0 H ARG A 91 1.044 -4.085 -6.623 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.647 -6.324 -6.149 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.236 -5.795 -4.700 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.567 -4.218 -4.330 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.225 -5.941 -2.532 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.248 -5.168 -3.081 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.720 -7.506 -2.915 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.635 -7.128 -4.624 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.023 -8.761 -4.772 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.265 -7.289 -1.542 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.680 -8.261 -1.123 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.785 -9.957 -4.198 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.528 -9.752 -2.608 1.00 1.25 H new ATOM 681 N GLN A 92 -1.970 -3.339 -5.854 1.00 0.19 N ATOM 682 CA GLN A 92 -3.255 -2.659 -5.718 1.00 0.21 C ATOM 683 C GLN A 92 -4.252 -3.239 -6.709 1.00 0.24 C ATOM 684 O GLN A 92 -5.444 -3.333 -6.431 1.00 0.26 O ATOM 685 CB GLN A 92 -3.125 -1.152 -5.937 1.00 0.23 C ATOM 686 CG GLN A 92 -4.329 -0.380 -5.419 1.00 0.34 C ATOM 687 CD GLN A 92 -4.361 1.060 -5.884 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.328 1.669 -6.147 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.557 1.620 -5.971 1.00 0.78 N ATOM 0 H GLN A 92 -1.187 -2.731 -6.095 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.610 -2.818 -4.700 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.225 -0.792 -5.438 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -3.001 -0.953 -7.001 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.241 -0.880 -5.745 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.325 -0.403 -4.329 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.391 1.079 -5.743 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.645 2.593 -6.266 1.00 0.78 H new ATOM 698 N GLN A 93 -3.741 -3.623 -7.870 1.00 0.26 N ATOM 699 CA GLN A 93 -4.557 -4.234 -8.909 1.00 0.32 C ATOM 700 C GLN A 93 -5.134 -5.562 -8.420 1.00 0.34 C ATOM 701 O GLN A 93 -6.280 -5.895 -8.707 1.00 0.40 O ATOM 702 CB GLN A 93 -3.735 -4.475 -10.177 1.00 0.36 C ATOM 703 CG GLN A 93 -3.036 -3.247 -10.728 1.00 0.38 C ATOM 704 CD GLN A 93 -3.973 -2.091 -10.953 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.576 -1.951 -12.018 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.082 -1.253 -9.948 1.00 0.57 N ATOM 0 H GLN A 93 -2.757 -3.521 -8.117 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.372 -3.548 -9.141 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.986 -5.238 -9.967 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.392 -4.877 -10.948 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.250 -2.942 -10.037 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.551 -3.503 -11.670 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.559 -1.417 -9.088 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.690 -0.438 -10.027 1.00 0.57 H new ATOM 715 N ARG A 94 -4.335 -6.311 -7.661 1.00 0.33 N ATOM 716 CA ARG A 94 -4.758 -7.603 -7.150 1.00 0.38 C ATOM 717 C ARG A 94 -5.474 -7.451 -5.819 1.00 0.32 C ATOM 718 O ARG A 94 -5.636 -8.414 -5.073 1.00 0.46 O ATOM 719 CB ARG A 94 -3.570 -8.558 -7.003 1.00 0.47 C ATOM 720 CG ARG A 94 -3.050 -9.076 -8.331 1.00 0.70 C ATOM 721 CD ARG A 94 -2.110 -8.094 -8.997 1.00 0.95 C ATOM 722 NE ARG A 94 -1.538 -8.625 -10.234 1.00 1.67 N ATOM 723 CZ ARG A 94 -1.904 -8.227 -11.456 1.00 2.40 C ATOM 724 NH1 ARG A 94 -2.936 -7.408 -11.614 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.248 -8.670 -12.523 1.00 3.24 N ATOM 0 H ARG A 94 -3.390 -6.040 -7.389 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.453 -8.030 -7.873 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.763 -8.045 -6.479 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.867 -9.403 -6.382 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.532 -10.022 -8.173 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -3.891 -9.279 -8.994 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -2.647 -7.171 -9.215 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.305 -7.840 -8.307 1.00 0.95 H new ATOM 0 HE ARG A 94 -0.816 -9.342 -10.159 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -3.455 -7.079 -10.800 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -3.210 -7.108 -12.549 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.465 -9.314 -12.409 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -1.527 -8.366 -13.456 1.00 3.24 H new ATOM 739 N ALA A 95 -5.892 -6.236 -5.524 1.00 0.28 N ATOM 740 CA ALA A 95 -6.669 -5.975 -4.341 1.00 0.25 C ATOM 741 C ALA A 95 -8.113 -5.661 -4.732 1.00 0.26 C ATOM 742 O ALA A 95 -8.353 -4.901 -5.670 1.00 0.36 O ATOM 743 CB ALA A 95 -6.029 -4.838 -3.563 1.00 0.25 C ATOM 0 H ALA A 95 -5.702 -5.413 -6.095 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.688 -6.854 -3.697 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.614 -4.636 -2.666 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.014 -5.117 -3.279 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.999 -3.943 -4.185 1.00 0.25 H new ATOM 749 N HIS A 96 -9.073 -6.284 -4.042 1.00 0.29 N ATOM 750 CA HIS A 96 -10.486 -6.097 -4.355 1.00 0.29 C ATOM 751 C HIS A 96 -10.894 -4.646 -4.168 1.00 0.27 C ATOM 752 O HIS A 96 -10.533 -4.004 -3.176 1.00 0.29 O ATOM 753 CB HIS A 96 -11.373 -6.978 -3.479 1.00 0.33 C ATOM 754 CG HIS A 96 -12.732 -7.209 -4.065 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.782 -6.373 -3.786 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.148 -8.177 -4.918 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.810 -6.847 -4.471 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.474 -7.938 -5.172 1.00 0.50 N ATOM 0 H HIS A 96 -8.894 -6.920 -3.265 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.622 -6.383 -5.398 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.882 -7.939 -3.325 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.481 -6.514 -2.498 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.550 -8.982 -5.320 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.797 -6.409 -4.466 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.086 -8.485 -5.777 1.00 0.50 H new ATOM 766 N SER A 97 -11.697 -4.166 -5.100 1.00 0.32 N ATOM 767 CA SER A 97 -12.050 -2.759 -5.185 1.00 0.37 C ATOM 768 C SER A 97 -12.912 -2.302 -4.011 1.00 0.33 C ATOM 769 O SER A 97 -13.043 -1.105 -3.772 1.00 0.39 O ATOM 770 CB SER A 97 -12.796 -2.507 -6.491 1.00 0.48 C ATOM 771 OG SER A 97 -12.146 -3.149 -7.573 1.00 1.46 O ATOM 0 H SER A 97 -12.125 -4.744 -5.823 1.00 0.32 H new ATOM 0 HA SER A 97 -11.124 -2.184 -5.152 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.819 -2.873 -6.407 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.855 -1.435 -6.680 1.00 0.48 H new ATOM 0 HG SER A 97 -12.641 -2.976 -8.401 1.00 1.46 H new ATOM 777 N LEU A 98 -13.487 -3.244 -3.269 1.00 0.29 N ATOM 778 CA LEU A 98 -14.400 -2.896 -2.192 1.00 0.32 C ATOM 779 C LEU A 98 -13.643 -2.395 -0.976 1.00 0.35 C ATOM 780 O LEU A 98 -13.979 -1.356 -0.414 1.00 0.43 O ATOM 781 CB LEU A 98 -15.277 -4.086 -1.821 1.00 0.35 C ATOM 782 CG LEU A 98 -16.417 -4.371 -2.800 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.276 -5.517 -2.295 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.257 -3.121 -3.015 1.00 0.67 C ATOM 0 H LEU A 98 -13.337 -4.245 -3.394 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.043 -2.091 -2.547 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.649 -4.974 -1.748 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.701 -3.913 -0.832 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.988 -4.663 -3.758 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.082 -5.707 -3.003 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.664 -6.413 -2.193 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.699 -5.255 -1.325 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.064 -3.341 -3.714 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.679 -2.798 -2.063 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.631 -2.327 -3.422 1.00 0.67 H new ATOM 796 N PHE A 99 -12.619 -3.139 -0.579 1.00 0.32 N ATOM 797 CA PHE A 99 -11.746 -2.704 0.499 1.00 0.34 C ATOM 798 C PHE A 99 -11.085 -1.383 0.131 1.00 0.34 C ATOM 799 O PHE A 99 -10.987 -0.473 0.957 1.00 0.39 O ATOM 800 CB PHE A 99 -10.677 -3.761 0.800 1.00 0.36 C ATOM 801 CG PHE A 99 -9.542 -3.237 1.635 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.770 -2.727 2.903 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.248 -3.237 1.139 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.727 -2.230 3.660 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.203 -2.741 1.892 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.443 -2.237 3.154 1.00 0.58 C ATOM 0 H PHE A 99 -12.375 -4.042 -0.986 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.351 -2.566 1.395 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.142 -4.601 1.317 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.281 -4.145 -0.140 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.773 -2.718 3.303 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.055 -3.630 0.152 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -8.916 -1.836 4.648 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.199 -2.747 1.494 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.627 -1.848 3.745 1.00 0.58 H new ATOM 816 N LEU A 100 -10.627 -1.293 -1.115 1.00 0.31 N ATOM 817 CA LEU A 100 -9.993 -0.082 -1.602 1.00 0.36 C ATOM 818 C LEU A 100 -10.959 1.100 -1.527 1.00 0.45 C ATOM 819 O LEU A 100 -10.637 2.124 -0.937 1.00 0.79 O ATOM 820 CB LEU A 100 -9.516 -0.293 -3.040 1.00 0.37 C ATOM 821 CG LEU A 100 -8.716 -1.579 -3.262 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.368 -1.747 -4.726 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.455 -1.591 -2.415 1.00 0.70 C ATOM 0 H LEU A 100 -10.685 -2.046 -1.801 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.133 0.144 -0.971 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.384 -0.302 -3.699 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.901 0.558 -3.334 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.341 -2.418 -2.955 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.800 -2.667 -4.862 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.284 -1.796 -5.314 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.769 -0.899 -5.057 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.906 -2.516 -2.593 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.829 -0.740 -2.683 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.724 -1.526 -1.361 1.00 0.70 H new ATOM 835 N ALA A 101 -12.169 0.929 -2.056 1.00 0.28 N ATOM 836 CA ALA A 101 -13.158 2.007 -2.087 1.00 0.33 C ATOM 837 C ALA A 101 -13.899 2.116 -0.761 1.00 0.36 C ATOM 838 O ALA A 101 -15.128 2.135 -0.718 1.00 0.57 O ATOM 839 CB ALA A 101 -14.149 1.797 -3.222 1.00 0.36 C ATOM 0 H ALA A 101 -12.489 0.053 -2.470 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.621 2.940 -2.256 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.875 2.610 -3.226 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.616 1.782 -4.173 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.667 0.848 -3.082 1.00 0.36 H new ATOM 845 N SER A 102 -13.143 2.224 0.310 1.00 0.34 N ATOM 846 CA SER A 102 -13.699 2.266 1.639 1.00 0.36 C ATOM 847 C SER A 102 -12.900 3.239 2.482 1.00 0.36 C ATOM 848 O SER A 102 -11.754 3.565 2.150 1.00 0.46 O ATOM 849 CB SER A 102 -13.680 0.867 2.258 1.00 0.40 C ATOM 850 OG SER A 102 -14.216 0.869 3.572 1.00 1.39 O ATOM 0 H SER A 102 -12.125 2.285 0.281 1.00 0.34 H new ATOM 0 HA SER A 102 -14.735 2.603 1.596 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.254 0.184 1.632 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.656 0.493 2.283 1.00 0.40 H new ATOM 0 HG SER A 102 -14.190 -0.040 3.937 1.00 1.39 H new ATOM 856 N ALA A 103 -13.500 3.715 3.557 1.00 0.35 N ATOM 857 CA ALA A 103 -12.816 4.614 4.463 1.00 0.36 C ATOM 858 C ALA A 103 -11.632 3.910 5.090 1.00 0.29 C ATOM 859 O ALA A 103 -10.606 4.526 5.369 1.00 0.30 O ATOM 860 CB ALA A 103 -13.763 5.099 5.539 1.00 0.44 C ATOM 0 H ALA A 103 -14.459 3.493 3.823 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.460 5.477 3.900 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.234 5.774 6.212 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.598 5.627 5.078 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.140 4.246 6.103 1.00 0.44 H new ATOM 866 N GLU A 104 -11.781 2.608 5.282 1.00 0.29 N ATOM 867 CA GLU A 104 -10.754 1.800 5.910 1.00 0.30 C ATOM 868 C GLU A 104 -9.415 1.967 5.205 1.00 0.26 C ATOM 869 O GLU A 104 -8.429 2.369 5.822 1.00 0.30 O ATOM 870 CB GLU A 104 -11.170 0.332 5.915 1.00 0.39 C ATOM 871 CG GLU A 104 -10.161 -0.579 6.589 1.00 0.49 C ATOM 872 CD GLU A 104 -10.672 -1.991 6.760 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.851 -2.157 7.130 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.909 -2.943 6.498 1.00 1.81 O ATOM 0 H GLU A 104 -12.614 2.087 5.008 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.637 2.140 6.939 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.130 0.236 6.422 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.318 0.001 4.887 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.244 -0.598 6.000 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.904 -0.169 7.566 1.00 0.49 H new ATOM 881 N PHE A 105 -9.390 1.693 3.907 1.00 0.22 N ATOM 882 CA PHE A 105 -8.156 1.794 3.143 1.00 0.20 C ATOM 883 C PHE A 105 -7.688 3.242 3.069 1.00 0.19 C ATOM 884 O PHE A 105 -6.486 3.513 3.063 1.00 0.16 O ATOM 885 CB PHE A 105 -8.338 1.218 1.738 1.00 0.21 C ATOM 886 CG PHE A 105 -7.048 1.110 0.979 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.956 0.483 1.552 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.923 1.635 -0.298 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.763 0.379 0.871 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.729 1.533 -0.988 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.648 0.905 -0.400 1.00 0.16 C ATOM 0 H PHE A 105 -10.204 1.401 3.366 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.391 1.210 3.655 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.794 0.231 1.812 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.031 1.848 1.180 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.040 0.070 2.546 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.766 2.128 -0.758 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.919 -0.113 1.331 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.642 1.943 -1.983 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.713 0.826 -0.935 1.00 0.16 H new ATOM 901 N CYS A 106 -8.638 4.171 3.009 1.00 0.27 N ATOM 902 CA CYS A 106 -8.318 5.592 3.080 1.00 0.27 C ATOM 903 C CYS A 106 -7.505 5.898 4.342 1.00 0.27 C ATOM 904 O CYS A 106 -6.518 6.636 4.289 1.00 0.28 O ATOM 905 CB CYS A 106 -9.597 6.430 3.060 1.00 0.29 C ATOM 906 SG CYS A 106 -9.316 8.215 3.069 1.00 0.59 S ATOM 0 H CYS A 106 -9.632 3.966 2.912 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.717 5.851 2.208 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.175 6.169 2.173 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.205 6.165 3.925 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.448 8.833 2.910 1.00 0.59 H new ATOM 912 N ASN A 107 -7.924 5.322 5.474 1.00 0.28 N ATOM 913 CA ASN A 107 -7.171 5.437 6.726 1.00 0.30 C ATOM 914 C ASN A 107 -5.774 4.890 6.548 1.00 0.24 C ATOM 915 O ASN A 107 -4.799 5.569 6.838 1.00 0.23 O ATOM 916 CB ASN A 107 -7.842 4.669 7.865 1.00 0.37 C ATOM 917 CG ASN A 107 -9.044 5.389 8.453 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.907 6.210 9.358 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.230 5.077 7.958 1.00 0.64 N ATOM 0 H ASN A 107 -8.780 4.772 5.548 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.140 6.496 6.981 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.157 3.692 7.498 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.111 4.493 8.654 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -11.070 5.523 8.327 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.305 4.391 7.207 1.00 0.64 H new ATOM 926 N ILE A 108 -5.695 3.663 6.047 1.00 0.21 N ATOM 927 CA ILE A 108 -4.422 2.991 5.833 1.00 0.17 C ATOM 928 C ILE A 108 -3.467 3.877 5.044 1.00 0.12 C ATOM 929 O ILE A 108 -2.344 4.131 5.472 1.00 0.12 O ATOM 930 CB ILE A 108 -4.636 1.655 5.084 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.837 0.503 6.066 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.498 1.352 4.123 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.195 0.512 6.716 1.00 0.39 C ATOM 0 H ILE A 108 -6.509 3.109 5.779 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.982 2.786 6.809 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.543 1.763 4.489 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.698 -0.442 5.541 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.070 0.554 6.839 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.690 0.405 3.619 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.425 2.149 3.383 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.562 1.285 4.677 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.275 -0.331 7.402 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.328 1.443 7.267 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.966 0.431 5.950 1.00 0.39 H new ATOM 945 N LEU A 109 -3.941 4.358 3.911 1.00 0.12 N ATOM 946 CA LEU A 109 -3.145 5.204 3.041 1.00 0.12 C ATOM 947 C LEU A 109 -2.738 6.498 3.711 1.00 0.13 C ATOM 948 O LEU A 109 -1.556 6.823 3.768 1.00 0.13 O ATOM 949 CB LEU A 109 -3.929 5.505 1.783 1.00 0.15 C ATOM 950 CG LEU A 109 -3.759 4.470 0.695 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.823 4.639 -0.353 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.388 4.605 0.080 1.00 0.17 C ATOM 0 H LEU A 109 -4.884 4.175 3.568 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.230 4.663 2.799 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.987 5.583 2.035 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.621 6.477 1.398 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.858 3.474 1.127 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.690 3.888 -1.131 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.806 4.519 0.103 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.746 5.634 -0.792 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.266 3.858 -0.705 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.277 5.602 -0.347 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.629 4.453 0.847 1.00 0.17 H new ATOM 964 N SER A 110 -3.714 7.224 4.230 1.00 0.16 N ATOM 965 CA SER A 110 -3.450 8.497 4.884 1.00 0.20 C ATOM 966 C SER A 110 -2.479 8.305 6.050 1.00 0.19 C ATOM 967 O SER A 110 -1.670 9.181 6.352 1.00 0.22 O ATOM 968 CB SER A 110 -4.764 9.134 5.361 1.00 0.28 C ATOM 969 OG SER A 110 -4.534 10.335 6.084 1.00 1.18 O ATOM 0 H SER A 110 -4.698 6.954 4.212 1.00 0.16 H new ATOM 0 HA SER A 110 -2.986 9.172 4.165 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.400 9.343 4.501 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.303 8.427 5.992 1.00 0.28 H new ATOM 0 HG SER A 110 -5.391 10.714 6.371 1.00 1.18 H new ATOM 975 N ARG A 111 -2.553 7.145 6.689 1.00 0.18 N ATOM 976 CA ARG A 111 -1.680 6.821 7.798 1.00 0.19 C ATOM 977 C ARG A 111 -0.270 6.449 7.322 1.00 0.16 C ATOM 978 O ARG A 111 0.697 7.120 7.678 1.00 0.17 O ATOM 979 CB ARG A 111 -2.295 5.690 8.624 1.00 0.25 C ATOM 980 CG ARG A 111 -3.481 6.136 9.469 1.00 0.33 C ATOM 981 CD ARG A 111 -4.133 4.967 10.192 1.00 1.22 C ATOM 982 NE ARG A 111 -3.195 4.241 11.048 1.00 1.97 N ATOM 983 CZ ARG A 111 -3.222 4.279 12.377 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.090 5.063 13.005 1.00 3.10 N ATOM 985 NH2 ARG A 111 -2.369 3.542 13.078 1.00 3.73 N ATOM 0 H ARG A 111 -3.218 6.409 6.451 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.580 7.707 8.425 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.615 4.893 7.953 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.530 5.269 9.277 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.150 6.875 10.199 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.218 6.625 8.832 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.961 5.335 10.797 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.555 4.281 9.458 1.00 1.22 H new ATOM 0 HE ARG A 111 -2.478 3.672 10.599 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.739 5.638 12.468 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.108 5.090 14.024 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -1.694 2.947 12.597 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -2.389 3.570 14.097 1.00 3.73 H new ATOM 999 N VAL A 112 -0.151 5.412 6.486 1.00 0.15 N ATOM 1000 CA VAL A 112 1.170 4.910 6.093 1.00 0.14 C ATOM 1001 C VAL A 112 1.918 5.911 5.218 1.00 0.14 C ATOM 1002 O VAL A 112 3.135 6.054 5.345 1.00 0.15 O ATOM 1003 CB VAL A 112 1.123 3.543 5.372 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.445 2.490 6.233 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.442 3.660 4.026 1.00 0.15 C ATOM 0 H VAL A 112 -0.939 4.911 6.074 1.00 0.15 H new ATOM 0 HA VAL A 112 1.706 4.771 7.032 1.00 0.14 H new ATOM 0 HB VAL A 112 2.151 3.224 5.202 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.427 1.540 5.699 1.00 0.17 H new ATOM 0 HG12 VAL A 112 0.997 2.372 7.166 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.576 2.802 6.453 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.423 2.684 3.542 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.579 4.016 4.164 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.990 4.365 3.401 1.00 0.15 H new ATOM 1015 N LEU A 113 1.203 6.606 4.338 1.00 0.15 N ATOM 1016 CA LEU A 113 1.816 7.595 3.489 1.00 0.16 C ATOM 1017 C LEU A 113 2.398 8.723 4.329 1.00 0.17 C ATOM 1018 O LEU A 113 3.545 9.124 4.140 1.00 0.20 O ATOM 1019 CB LEU A 113 0.777 8.119 2.497 1.00 0.16 C ATOM 1020 CG LEU A 113 0.863 9.602 2.193 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.051 9.898 1.291 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.431 10.088 1.572 1.00 0.27 C ATOM 0 H LEU A 113 0.198 6.495 4.202 1.00 0.15 H new ATOM 0 HA LEU A 113 2.636 7.144 2.930 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.879 7.567 1.563 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.217 7.902 2.888 1.00 0.16 H new ATOM 0 HG LEU A 113 1.014 10.141 3.128 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.094 10.968 1.085 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.971 9.586 1.786 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.941 9.352 0.354 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.354 11.154 1.359 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.616 9.545 0.645 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.255 9.914 2.265 1.00 0.27 H new ATOM 1034 N SER A 114 1.610 9.208 5.277 1.00 0.17 N ATOM 1035 CA SER A 114 2.040 10.291 6.142 1.00 0.21 C ATOM 1036 C SER A 114 3.189 9.827 7.032 1.00 0.18 C ATOM 1037 O SER A 114 4.129 10.580 7.281 1.00 0.20 O ATOM 1038 CB SER A 114 0.859 10.793 6.972 1.00 0.26 C ATOM 1039 OG SER A 114 1.227 11.897 7.783 1.00 1.06 O ATOM 0 H SER A 114 0.668 8.866 5.465 1.00 0.17 H new ATOM 0 HA SER A 114 2.403 11.119 5.533 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.044 11.083 6.309 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.486 9.985 7.602 1.00 0.26 H new ATOM 0 HG SER A 114 0.450 12.196 8.300 1.00 1.06 H new ATOM 1045 N ARG A 115 3.111 8.582 7.496 1.00 0.15 N ATOM 1046 CA ARG A 115 4.212 7.955 8.211 1.00 0.16 C ATOM 1047 C ARG A 115 5.506 8.026 7.414 1.00 0.15 C ATOM 1048 O ARG A 115 6.544 8.421 7.935 1.00 0.18 O ATOM 1049 CB ARG A 115 3.887 6.496 8.496 1.00 0.20 C ATOM 1050 CG ARG A 115 2.913 6.306 9.615 1.00 0.31 C ATOM 1051 CD ARG A 115 3.470 6.845 10.899 1.00 0.53 C ATOM 1052 NE ARG A 115 4.864 6.453 11.103 1.00 0.89 N ATOM 1053 CZ ARG A 115 5.768 7.205 11.726 1.00 1.21 C ATOM 1054 NH1 ARG A 115 5.433 8.385 12.221 1.00 1.63 N ATOM 1055 NH2 ARG A 115 7.012 6.769 11.850 1.00 1.62 N ATOM 0 H ARG A 115 2.290 7.987 7.387 1.00 0.15 H new ATOM 0 HA ARG A 115 4.347 8.498 9.146 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.483 6.040 7.592 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.810 5.967 8.735 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.977 6.811 9.378 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.684 5.246 9.728 1.00 0.31 H new ATOM 0 HD2 ARG A 115 3.397 7.933 10.897 1.00 0.53 H new ATOM 0 HD3 ARG A 115 2.867 6.486 11.734 1.00 0.53 H new ATOM 0 HE ARG A 115 5.162 5.546 10.745 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.476 8.725 12.127 1.00 1.63 H new ATOM 0 HH12 ARG A 115 6.132 8.955 12.697 1.00 1.63 H new ATOM 0 HH21 ARG A 115 7.274 5.860 11.469 1.00 1.62 H new ATOM 0 HH22 ARG A 115 7.708 7.342 12.327 1.00 1.62 H new ATOM 1069 N ALA A 116 5.432 7.645 6.148 1.00 0.15 N ATOM 1070 CA ALA A 116 6.607 7.582 5.290 1.00 0.18 C ATOM 1071 C ALA A 116 7.111 8.971 4.904 1.00 0.21 C ATOM 1072 O ALA A 116 8.305 9.171 4.696 1.00 0.25 O ATOM 1073 CB ALA A 116 6.297 6.762 4.059 1.00 0.20 C ATOM 0 H ALA A 116 4.563 7.373 5.688 1.00 0.15 H new ATOM 0 HA ALA A 116 7.408 7.100 5.851 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.179 6.718 3.420 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.013 5.753 4.356 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.475 7.224 3.512 1.00 0.20 H new ATOM 1079 N ARG A 117 6.196 9.922 4.788 1.00 0.23 N ATOM 1080 CA ARG A 117 6.567 11.315 4.545 1.00 0.28 C ATOM 1081 C ARG A 117 7.248 11.905 5.776 1.00 0.29 C ATOM 1082 O ARG A 117 8.118 12.772 5.672 1.00 0.39 O ATOM 1083 CB ARG A 117 5.331 12.133 4.178 1.00 0.38 C ATOM 1084 CG ARG A 117 4.707 11.695 2.870 1.00 1.06 C ATOM 1085 CD ARG A 117 4.719 12.810 1.841 1.00 1.15 C ATOM 1086 NE ARG A 117 3.663 13.789 2.086 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.274 14.711 1.205 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.924 14.865 0.058 1.00 2.33 N ATOM 1089 NH2 ARG A 117 2.236 15.488 1.479 1.00 2.99 N ATOM 0 H ARG A 117 5.192 9.759 4.858 1.00 0.23 H new ATOM 0 HA ARG A 117 7.269 11.350 3.712 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.593 12.046 4.975 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.604 13.186 4.111 1.00 0.38 H new ATOM 0 HG2 ARG A 117 5.248 10.833 2.479 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.681 11.374 3.046 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.688 13.309 1.858 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.597 12.386 0.844 1.00 1.15 H new ATOM 0 HE ARG A 117 3.192 13.766 2.991 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.728 14.275 -0.156 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.619 15.573 -0.610 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.737 15.380 2.362 1.00 2.99 H new ATOM 0 HH22 ARG A 117 1.936 16.194 0.807 1.00 2.99 H new ATOM 1103 N SER A 118 6.844 11.413 6.937 1.00 0.28 N ATOM 1104 CA SER A 118 7.411 11.840 8.209 1.00 0.33 C ATOM 1105 C SER A 118 8.753 11.163 8.442 1.00 0.32 C ATOM 1106 O SER A 118 9.754 11.801 8.780 1.00 0.41 O ATOM 1107 CB SER A 118 6.447 11.477 9.337 1.00 0.38 C ATOM 1108 OG SER A 118 6.793 12.117 10.554 1.00 0.62 O ATOM 0 H SER A 118 6.114 10.706 7.025 1.00 0.28 H new ATOM 0 HA SER A 118 7.564 12.919 8.189 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.433 11.760 9.053 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.448 10.397 9.482 1.00 0.38 H new ATOM 0 HG SER A 118 6.153 11.862 11.251 1.00 0.62 H new ATOM 1114 N ARG A 119 8.741 9.860 8.268 1.00 0.26 N ATOM 1115 CA ARG A 119 9.923 9.028 8.417 1.00 0.28 C ATOM 1116 C ARG A 119 10.270 8.322 7.107 1.00 0.26 C ATOM 1117 O ARG A 119 9.951 7.144 6.924 1.00 0.25 O ATOM 1118 CB ARG A 119 9.698 7.991 9.515 1.00 0.33 C ATOM 1119 CG ARG A 119 9.751 8.571 10.913 1.00 0.47 C ATOM 1120 CD ARG A 119 11.170 8.970 11.266 1.00 1.28 C ATOM 1121 NE ARG A 119 11.295 9.479 12.628 1.00 1.54 N ATOM 1122 CZ ARG A 119 12.344 10.173 13.057 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.303 10.521 12.205 1.00 3.26 N ATOM 1124 NH2 ARG A 119 12.423 10.550 14.327 1.00 2.60 N ATOM 0 H ARG A 119 7.902 9.338 8.016 1.00 0.26 H new ATOM 0 HA ARG A 119 10.757 9.674 8.691 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.728 7.517 9.363 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.452 7.209 9.426 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.095 9.439 10.978 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.383 7.839 11.632 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.825 8.108 11.144 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.513 9.732 10.566 1.00 1.28 H new ATOM 0 HE ARG A 119 10.538 9.292 13.285 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.233 10.255 11.223 1.00 3.26 H new ATOM 0 HH12 ARG A 119 14.108 11.054 12.534 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.677 10.307 14.978 1.00 2.60 H new ATOM 0 HH22 ARG A 119 13.230 11.083 14.652 1.00 2.60 H new ATOM 1138 N PRO A 120 10.934 9.038 6.184 1.00 0.29 N ATOM 1139 CA PRO A 120 11.410 8.476 4.914 1.00 0.30 C ATOM 1140 C PRO A 120 12.345 7.298 5.137 1.00 0.27 C ATOM 1141 O PRO A 120 12.414 6.374 4.326 1.00 0.28 O ATOM 1142 CB PRO A 120 12.181 9.640 4.278 1.00 0.37 C ATOM 1143 CG PRO A 120 12.459 10.576 5.398 1.00 0.38 C ATOM 1144 CD PRO A 120 11.275 10.457 6.301 1.00 0.35 C ATOM 0 HA PRO A 120 10.593 8.098 4.299 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.105 9.295 3.814 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.593 10.123 3.497 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.380 10.309 5.917 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.580 11.598 5.038 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.517 10.734 7.327 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.454 11.100 5.982 1.00 0.35 H new ATOM 1152 N ALA A 121 13.041 7.347 6.265 1.00 0.25 N ATOM 1153 CA ALA A 121 14.031 6.349 6.636 1.00 0.28 C ATOM 1154 C ALA A 121 13.455 4.935 6.665 1.00 0.27 C ATOM 1155 O ALA A 121 14.173 3.959 6.449 1.00 0.35 O ATOM 1156 CB ALA A 121 14.613 6.708 7.989 1.00 0.33 C ATOM 0 H ALA A 121 12.932 8.090 6.955 1.00 0.25 H new ATOM 0 HA ALA A 121 14.812 6.352 5.876 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.357 5.964 8.274 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.084 7.689 7.934 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.817 6.729 8.733 1.00 0.33 H new ATOM 1162 N LYS A 122 12.164 4.820 6.937 1.00 0.22 N ATOM 1163 CA LYS A 122 11.523 3.520 6.996 1.00 0.27 C ATOM 1164 C LYS A 122 10.249 3.509 6.167 1.00 0.19 C ATOM 1165 O LYS A 122 9.292 2.805 6.484 1.00 0.18 O ATOM 1166 CB LYS A 122 11.261 3.117 8.446 1.00 0.39 C ATOM 1167 CG LYS A 122 12.543 2.771 9.190 1.00 0.49 C ATOM 1168 CD LYS A 122 12.521 1.344 9.707 1.00 0.66 C ATOM 1169 CE LYS A 122 11.925 1.248 11.103 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.809 1.864 12.132 1.00 1.79 N ATOM 0 H LYS A 122 11.544 5.609 7.119 1.00 0.22 H new ATOM 0 HA LYS A 122 12.196 2.779 6.565 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.753 3.932 8.961 1.00 0.39 H new ATOM 0 HB3 LYS A 122 10.589 2.259 8.467 1.00 0.39 H new ATOM 0 HG2 LYS A 122 13.397 2.905 8.526 1.00 0.49 H new ATOM 0 HG3 LYS A 122 12.677 3.459 10.025 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.944 0.721 9.024 1.00 0.66 H new ATOM 0 HD3 LYS A 122 13.536 0.948 9.719 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.954 1.742 11.117 1.00 1.28 H new ATOM 0 HE3 LYS A 122 11.753 0.201 11.353 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.546 1.508 13.073 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 13.799 1.616 11.932 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.700 2.898 12.110 1.00 1.79 H new ATOM 1184 N LEU A 123 10.268 4.297 5.092 1.00 0.17 N ATOM 1185 CA LEU A 123 9.216 4.306 4.087 1.00 0.14 C ATOM 1186 C LEU A 123 8.838 2.891 3.660 1.00 0.12 C ATOM 1187 O LEU A 123 7.664 2.588 3.448 1.00 0.12 O ATOM 1188 CB LEU A 123 9.713 5.091 2.881 1.00 0.16 C ATOM 1189 CG LEU A 123 9.004 4.797 1.567 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.693 5.541 1.471 1.00 0.15 C ATOM 1191 CD2 LEU A 123 9.904 5.155 0.419 1.00 0.21 C ATOM 0 H LEU A 123 11.025 4.953 4.896 1.00 0.17 H new ATOM 0 HA LEU A 123 8.325 4.770 4.511 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.614 6.155 3.097 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.776 4.890 2.752 1.00 0.16 H new ATOM 0 HG LEU A 123 8.777 3.732 1.526 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.212 5.309 0.521 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.042 5.238 2.291 1.00 0.15 H new ATOM 0 HD13 LEU A 123 7.878 6.613 1.532 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.395 4.944 -0.522 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.152 6.215 0.468 1.00 0.21 H new ATOM 0 HD23 LEU A 123 10.819 4.566 0.477 1.00 0.21 H new ATOM 1203 N TYR A 124 9.841 2.026 3.552 1.00 0.13 N ATOM 1204 CA TYR A 124 9.628 0.664 3.084 1.00 0.13 C ATOM 1205 C TYR A 124 8.678 -0.076 3.988 1.00 0.13 C ATOM 1206 O TYR A 124 7.819 -0.779 3.508 1.00 0.14 O ATOM 1207 CB TYR A 124 10.939 -0.096 2.979 1.00 0.14 C ATOM 1208 CG TYR A 124 11.759 0.282 1.781 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.633 1.360 1.808 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.658 -0.452 0.616 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.380 1.691 0.696 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.393 -0.132 -0.488 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.257 0.938 -0.451 1.00 0.24 C ATOM 1214 OH TYR A 124 13.990 1.261 -1.566 1.00 0.31 O ATOM 0 H TYR A 124 10.810 2.246 3.783 1.00 0.13 H new ATOM 0 HA TYR A 124 9.187 0.730 2.090 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.525 0.082 3.881 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.728 -1.165 2.941 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.729 1.946 2.710 1.00 0.22 H new ATOM 0 HD2 TYR A 124 10.984 -1.295 0.578 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.055 2.533 0.725 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.297 -0.718 -1.390 1.00 0.19 H new ATOM 0 HH TYR A 124 14.844 0.781 -1.547 1.00 0.31 H new ATOM 1224 N VAL A 125 8.823 0.092 5.289 1.00 0.13 N ATOM 1225 CA VAL A 125 7.894 -0.520 6.239 1.00 0.14 C ATOM 1226 C VAL A 125 6.444 -0.201 5.877 1.00 0.12 C ATOM 1227 O VAL A 125 5.577 -1.073 5.901 1.00 0.14 O ATOM 1228 CB VAL A 125 8.182 -0.049 7.675 1.00 0.18 C ATOM 1229 CG1 VAL A 125 7.103 -0.531 8.637 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.558 -0.532 8.098 1.00 0.23 C ATOM 0 H VAL A 125 9.568 0.642 5.717 1.00 0.13 H new ATOM 0 HA VAL A 125 8.040 -1.599 6.185 1.00 0.14 H new ATOM 0 HB VAL A 125 8.169 1.041 7.702 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.332 -0.184 9.644 1.00 0.19 H new ATOM 0 HG12 VAL A 125 6.136 -0.134 8.328 1.00 0.19 H new ATOM 0 HG13 VAL A 125 7.068 -1.620 8.628 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.764 -0.199 9.115 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.589 -1.621 8.059 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.310 -0.123 7.423 1.00 0.23 H new ATOM 1240 N TYR A 126 6.202 1.045 5.519 1.00 0.11 N ATOM 1241 CA TYR A 126 4.871 1.503 5.158 1.00 0.11 C ATOM 1242 C TYR A 126 4.494 1.010 3.764 1.00 0.10 C ATOM 1243 O TYR A 126 3.330 0.725 3.490 1.00 0.11 O ATOM 1244 CB TYR A 126 4.832 3.020 5.288 1.00 0.12 C ATOM 1245 CG TYR A 126 5.354 3.451 6.640 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.734 3.004 7.800 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.490 4.245 6.767 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.217 3.343 9.044 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.985 4.581 8.015 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.341 4.125 9.148 1.00 0.20 C ATOM 1251 OH TYR A 126 6.824 4.444 10.396 1.00 0.25 O ATOM 0 H TYR A 126 6.920 1.768 5.470 1.00 0.11 H new ATOM 0 HA TYR A 126 4.123 1.087 5.832 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.432 3.474 4.499 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.810 3.376 5.156 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.857 2.379 7.725 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.992 4.604 5.880 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.714 2.995 9.934 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.869 5.196 8.102 1.00 0.20 H new ATOM 0 HH TYR A 126 7.784 4.249 10.435 1.00 0.25 H new ATOM 1261 N ILE A 127 5.497 0.900 2.897 1.00 0.11 N ATOM 1262 CA ILE A 127 5.355 0.210 1.616 1.00 0.11 C ATOM 1263 C ILE A 127 4.917 -1.230 1.854 1.00 0.11 C ATOM 1264 O ILE A 127 3.945 -1.715 1.275 1.00 0.11 O ATOM 1265 CB ILE A 127 6.700 0.195 0.849 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.044 1.598 0.357 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.646 -0.781 -0.308 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.514 1.807 0.072 1.00 0.11 C ATOM 0 H ILE A 127 6.428 1.284 3.060 1.00 0.11 H new ATOM 0 HA ILE A 127 4.609 0.741 1.025 1.00 0.11 H new ATOM 0 HB ILE A 127 7.484 -0.134 1.531 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.476 1.803 -0.550 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.723 2.323 1.105 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.601 -0.776 -0.833 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.446 -1.783 0.071 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.852 -0.487 -0.995 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.676 2.828 -0.273 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.089 1.636 0.982 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.838 1.108 -0.699 1.00 0.11 H new ATOM 1280 N ASN A 128 5.663 -1.888 2.729 1.00 0.12 N ATOM 1281 CA ASN A 128 5.429 -3.260 3.117 1.00 0.14 C ATOM 1282 C ASN A 128 4.011 -3.429 3.627 1.00 0.14 C ATOM 1283 O ASN A 128 3.290 -4.331 3.193 1.00 0.16 O ATOM 1284 CB ASN A 128 6.420 -3.655 4.218 1.00 0.20 C ATOM 1285 CG ASN A 128 7.844 -3.882 3.728 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.598 -4.630 4.332 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.232 -3.233 2.648 1.00 0.26 N ATOM 0 H ASN A 128 6.466 -1.467 3.197 1.00 0.12 H new ATOM 0 HA ASN A 128 5.569 -3.902 2.247 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.430 -2.874 4.979 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.065 -4.566 4.701 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.183 -3.349 2.297 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.581 -2.615 2.163 1.00 0.26 H new ATOM 1294 N GLU A 129 3.619 -2.559 4.554 1.00 0.13 N ATOM 1295 CA GLU A 129 2.267 -2.550 5.055 1.00 0.16 C ATOM 1296 C GLU A 129 1.270 -2.403 3.944 1.00 0.15 C ATOM 1297 O GLU A 129 0.507 -3.307 3.689 1.00 0.17 O ATOM 1298 CB GLU A 129 2.081 -1.421 6.014 1.00 0.23 C ATOM 1299 CG GLU A 129 2.741 -1.698 7.321 1.00 0.29 C ATOM 1300 CD GLU A 129 2.436 -3.083 7.857 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.264 -3.348 8.196 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.369 -3.908 7.949 1.00 1.03 O ATOM 0 H GLU A 129 4.228 -1.853 4.968 1.00 0.13 H new ATOM 0 HA GLU A 129 2.100 -3.503 5.556 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.491 -0.507 5.585 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.016 -1.249 6.172 1.00 0.23 H new ATOM 0 HG2 GLU A 129 3.819 -1.588 7.208 1.00 0.29 H new ATOM 0 HG3 GLU A 129 2.419 -0.954 8.049 1.00 0.29 H new ATOM 1309 N LEU A 130 1.341 -1.279 3.258 1.00 0.14 N ATOM 1310 CA LEU A 130 0.391 -0.930 2.213 1.00 0.15 C ATOM 1311 C LEU A 130 0.206 -2.068 1.207 1.00 0.15 C ATOM 1312 O LEU A 130 -0.911 -2.350 0.780 1.00 0.18 O ATOM 1313 CB LEU A 130 0.897 0.330 1.522 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.109 1.076 0.656 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.428 1.259 1.397 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.478 2.422 0.273 1.00 0.12 C ATOM 0 H LEU A 130 2.064 -0.575 3.409 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.588 -0.753 2.658 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.265 1.015 2.286 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.750 0.060 0.899 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.313 0.496 -0.244 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.132 1.794 0.760 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.840 0.283 1.653 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.257 1.831 2.309 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.234 2.966 -0.348 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.687 2.998 1.175 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.403 2.271 -0.283 1.00 0.12 H new ATOM 1328 N CYS A 131 1.296 -2.741 0.863 1.00 0.14 N ATOM 1329 CA CYS A 131 1.246 -3.845 -0.086 1.00 0.17 C ATOM 1330 C CYS A 131 0.559 -5.073 0.528 1.00 0.18 C ATOM 1331 O CYS A 131 -0.263 -5.727 -0.122 1.00 0.21 O ATOM 1332 CB CYS A 131 2.664 -4.200 -0.541 1.00 0.20 C ATOM 1333 SG CYS A 131 2.738 -5.431 -1.857 1.00 0.53 S ATOM 0 H CYS A 131 2.227 -2.541 1.228 1.00 0.14 H new ATOM 0 HA CYS A 131 0.659 -3.532 -0.949 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.161 -3.292 -0.881 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.226 -4.569 0.317 1.00 0.20 H new ATOM 0 HG CYS A 131 3.864 -5.316 -2.496 1.00 0.53 H new ATOM 1339 N THR A 132 0.891 -5.381 1.780 1.00 0.19 N ATOM 1340 CA THR A 132 0.286 -6.517 2.474 1.00 0.23 C ATOM 1341 C THR A 132 -1.150 -6.180 2.864 1.00 0.21 C ATOM 1342 O THR A 132 -2.044 -7.026 2.819 1.00 0.22 O ATOM 1343 CB THR A 132 1.081 -6.887 3.743 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.484 -6.922 3.448 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.643 -8.243 4.279 1.00 0.36 C ATOM 0 H THR A 132 1.573 -4.862 2.333 1.00 0.19 H new ATOM 0 HA THR A 132 0.300 -7.370 1.795 1.00 0.23 H new ATOM 0 HB THR A 132 0.884 -6.130 4.502 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.843 -6.010 3.456 1.00 0.32 H new ATOM 0 HG21 THR A 132 1.217 -8.483 5.174 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.418 -8.211 4.526 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.816 -9.007 3.521 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.343 -4.916 3.209 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.634 -4.351 3.560 1.00 0.17 C ATOM 1355 C VAL A 133 -3.646 -4.653 2.472 1.00 0.18 C ATOM 1356 O VAL A 133 -4.792 -5.016 2.750 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.502 -2.813 3.748 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.823 -2.101 3.514 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -1.948 -2.465 5.132 1.00 0.18 C ATOM 0 H VAL A 133 -0.583 -4.237 3.253 1.00 0.18 H new ATOM 0 HA VAL A 133 -2.975 -4.798 4.494 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.794 -2.463 2.997 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.688 -1.029 3.655 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.165 -2.293 2.497 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.565 -2.470 4.222 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -1.868 -1.382 5.230 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.619 -2.851 5.900 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -0.962 -2.914 5.253 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.197 -4.526 1.235 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.039 -4.783 0.088 1.00 0.20 C ATOM 1371 C LEU A 134 -4.600 -6.197 0.125 1.00 0.23 C ATOM 1372 O LEU A 134 -5.806 -6.380 0.109 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.242 -4.551 -1.195 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.795 -3.105 -1.397 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.882 -2.969 -2.598 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.998 -2.209 -1.559 1.00 0.20 C ATOM 0 H LEU A 134 -2.245 -4.244 1.002 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.883 -4.094 0.113 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.362 -5.194 -1.185 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.849 -4.855 -2.048 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.234 -2.802 -0.513 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.583 -1.927 -2.712 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.996 -3.587 -2.453 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.409 -3.295 -3.495 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.669 -1.180 -1.702 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.576 -2.529 -2.426 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.620 -2.270 -0.666 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.745 -7.195 0.249 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.203 -8.575 0.175 1.00 0.29 C ATOM 1390 C LYS A 135 -4.818 -9.056 1.476 1.00 0.30 C ATOM 1391 O LYS A 135 -5.691 -9.923 1.469 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.079 -9.497 -0.270 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.914 -9.509 -1.777 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.209 -9.922 -2.470 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.239 -11.414 -2.782 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.207 -12.263 -1.560 1.00 1.59 N ATOM 0 H LYS A 135 -2.743 -7.082 0.399 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.993 -8.605 -0.575 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.145 -9.180 0.194 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.281 -10.509 0.080 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.614 -8.519 -2.121 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.115 -10.198 -2.053 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -5.057 -9.667 -1.835 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.322 -9.356 -3.395 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.139 -11.642 -3.353 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.388 -11.665 -3.415 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.498 -13.231 -1.802 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -3.242 -12.278 -1.173 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.859 -11.873 -0.849 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.367 -8.497 2.584 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.862 -8.899 3.891 1.00 0.30 C ATOM 1412 C ALA A 136 -6.331 -8.535 4.067 1.00 0.31 C ATOM 1413 O ALA A 136 -7.090 -9.277 4.692 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.034 -8.263 4.999 1.00 0.33 C ATOM 0 H ALA A 136 -3.659 -7.763 2.607 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.769 -9.983 3.955 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.421 -8.577 5.968 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -2.995 -8.579 4.904 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.092 -7.177 4.919 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.736 -7.390 3.525 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.080 -6.897 3.765 1.00 0.35 C ATOM 1422 C HIS A 137 -8.965 -6.934 2.521 1.00 0.35 C ATOM 1423 O HIS A 137 -10.188 -6.879 2.627 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.022 -5.486 4.331 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.069 -5.331 5.479 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.277 -5.888 6.721 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -5.874 -4.701 5.551 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.253 -5.607 7.506 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.387 -4.886 6.819 1.00 0.49 N ATOM 0 H HIS A 137 -6.160 -6.797 2.927 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.539 -7.569 4.490 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.734 -4.798 3.536 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.020 -5.195 4.658 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.392 -4.153 4.755 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.143 -5.915 8.535 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.501 -4.526 7.173 1.00 0.49 H new ATOM 1438 N SER A 138 -8.364 -7.027 1.350 1.00 0.31 N ATOM 1439 CA SER A 138 -9.134 -7.078 0.114 1.00 0.33 C ATOM 1440 C SER A 138 -9.180 -8.512 -0.417 1.00 0.55 C ATOM 1441 O SER A 138 -8.702 -9.443 0.233 1.00 1.05 O ATOM 1442 CB SER A 138 -8.576 -6.127 -0.951 1.00 0.38 C ATOM 1443 OG SER A 138 -7.537 -6.747 -1.674 1.00 1.00 O ATOM 0 H SER A 138 -7.353 -7.069 1.225 1.00 0.31 H new ATOM 0 HA SER A 138 -10.147 -6.747 0.341 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.372 -5.828 -1.632 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.205 -5.219 -0.477 1.00 0.38 H new ATOM 0 HG SER A 138 -6.788 -6.938 -1.072 1.00 1.00 H new ATOM 1624 N SER B 27 4.594 -11.362 3.201 1.00 0.55 N ATOM 1625 CA SER B 27 4.200 -10.169 3.929 1.00 0.54 C ATOM 1626 C SER B 27 5.134 -9.007 3.595 1.00 0.44 C ATOM 1627 O SER B 27 5.499 -8.804 2.441 1.00 0.53 O ATOM 1628 CB SER B 27 4.252 -10.462 5.427 1.00 0.75 C ATOM 1629 OG SER B 27 3.686 -11.732 5.717 1.00 1.37 O ATOM 0 HA SER B 27 3.187 -9.889 3.641 1.00 0.54 H new ATOM 0 HB2 SER B 27 5.286 -10.433 5.771 1.00 0.75 H new ATOM 0 HB3 SER B 27 3.713 -9.687 5.972 1.00 0.75 H new ATOM 0 HG SER B 27 3.832 -12.336 4.959 1.00 1.37 H new ATOM 1635 N ASP B 28 5.524 -8.261 4.620 1.00 0.43 N ATOM 1636 CA ASP B 28 6.485 -7.172 4.481 1.00 0.37 C ATOM 1637 C ASP B 28 7.769 -7.662 3.817 1.00 0.33 C ATOM 1638 O ASP B 28 8.381 -6.952 3.019 1.00 0.31 O ATOM 1639 CB ASP B 28 6.780 -6.562 5.864 1.00 0.44 C ATOM 1640 CG ASP B 28 7.081 -7.601 6.930 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.151 -8.341 7.327 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.237 -7.687 7.383 1.00 1.83 O ATOM 0 H ASP B 28 5.183 -8.393 5.572 1.00 0.43 H new ATOM 0 HA ASP B 28 6.056 -6.402 3.840 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.628 -5.883 5.780 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.924 -5.966 6.180 1.00 0.44 H new ATOM 1647 N SER B 29 8.134 -8.902 4.098 1.00 0.36 N ATOM 1648 CA SER B 29 9.343 -9.490 3.551 1.00 0.34 C ATOM 1649 C SER B 29 9.321 -9.564 2.024 1.00 0.33 C ATOM 1650 O SER B 29 10.369 -9.686 1.394 1.00 0.34 O ATOM 1651 CB SER B 29 9.542 -10.874 4.146 1.00 0.39 C ATOM 1652 OG SER B 29 8.296 -11.529 4.326 1.00 1.07 O ATOM 0 H SER B 29 7.604 -9.525 4.708 1.00 0.36 H new ATOM 0 HA SER B 29 10.179 -8.844 3.820 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.179 -11.468 3.491 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.057 -10.793 5.103 1.00 0.39 H new ATOM 0 HG SER B 29 8.446 -12.419 4.708 1.00 1.07 H new ATOM 1658 N GLU B 30 8.135 -9.462 1.439 1.00 0.35 N ATOM 1659 CA GLU B 30 7.970 -9.538 -0.012 1.00 0.37 C ATOM 1660 C GLU B 30 8.772 -8.444 -0.705 1.00 0.34 C ATOM 1661 O GLU B 30 9.330 -8.636 -1.785 1.00 0.39 O ATOM 1662 CB GLU B 30 6.499 -9.400 -0.361 1.00 0.45 C ATOM 1663 CG GLU B 30 6.184 -9.713 -1.800 1.00 0.68 C ATOM 1664 CD GLU B 30 4.727 -10.077 -2.012 1.00 1.37 C ATOM 1665 OE1 GLU B 30 3.848 -9.265 -1.635 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.450 -11.175 -2.537 1.00 1.57 O ATOM 0 H GLU B 30 7.263 -9.325 1.951 1.00 0.35 H new ATOM 0 HA GLU B 30 8.340 -10.504 -0.357 1.00 0.37 H new ATOM 0 HB2 GLU B 30 5.919 -10.063 0.281 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.177 -8.382 -0.141 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.433 -8.851 -2.418 1.00 0.68 H new ATOM 0 HG3 GLU B 30 6.813 -10.538 -2.135 1.00 0.68 H new ATOM 1673 N LEU B 31 8.815 -7.299 -0.063 1.00 0.28 N ATOM 1674 CA LEU B 31 9.583 -6.169 -0.523 1.00 0.24 C ATOM 1675 C LEU B 31 11.049 -6.444 -0.294 1.00 0.25 C ATOM 1676 O LEU B 31 11.895 -6.280 -1.171 1.00 0.26 O ATOM 1677 CB LEU B 31 9.207 -4.950 0.282 1.00 0.20 C ATOM 1678 CG LEU B 31 7.802 -4.379 0.092 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.627 -3.771 -1.277 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.739 -5.419 0.350 1.00 0.24 C ATOM 0 H LEU B 31 8.309 -7.126 0.806 1.00 0.28 H new ATOM 0 HA LEU B 31 9.383 -6.003 -1.582 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.330 -5.194 1.337 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.923 -4.162 0.051 1.00 0.20 H new ATOM 0 HG LEU B 31 7.683 -3.585 0.829 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.616 -3.376 -1.373 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.346 -2.963 -1.411 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.793 -4.534 -2.038 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.754 -4.976 0.205 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.868 -6.251 -0.342 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.826 -5.782 1.374 1.00 0.24 H new ATOM 1692 N GLU B 32 11.310 -6.879 0.921 1.00 0.26 N ATOM 1693 CA GLU B 32 12.659 -7.149 1.405 1.00 0.29 C ATOM 1694 C GLU B 32 13.389 -8.174 0.550 1.00 0.33 C ATOM 1695 O GLU B 32 14.614 -8.292 0.621 1.00 0.38 O ATOM 1696 CB GLU B 32 12.616 -7.653 2.837 1.00 0.29 C ATOM 1697 CG GLU B 32 11.636 -6.918 3.729 1.00 0.26 C ATOM 1698 CD GLU B 32 11.890 -7.224 5.184 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.465 -8.300 5.653 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.571 -6.420 5.849 1.00 0.47 O ATOM 0 H GLU B 32 10.584 -7.059 1.615 1.00 0.26 H new ATOM 0 HA GLU B 32 13.203 -6.206 1.349 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.358 -8.712 2.829 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.614 -7.571 3.268 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.720 -5.844 3.560 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.617 -7.203 3.467 1.00 0.26 H new ATOM 1707 N GLN B 33 12.629 -8.912 -0.239 1.00 0.35 N ATOM 1708 CA GLN B 33 13.184 -9.919 -1.134 1.00 0.40 C ATOM 1709 C GLN B 33 14.262 -9.309 -2.013 1.00 0.39 C ATOM 1710 O GLN B 33 15.291 -9.929 -2.279 1.00 0.48 O ATOM 1711 CB GLN B 33 12.093 -10.508 -2.019 1.00 0.43 C ATOM 1712 CG GLN B 33 10.943 -11.113 -1.253 1.00 0.47 C ATOM 1713 CD GLN B 33 11.356 -12.284 -0.389 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.381 -13.430 -0.838 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.664 -12.008 0.863 1.00 0.57 N ATOM 0 H GLN B 33 11.613 -8.833 -0.280 1.00 0.35 H new ATOM 0 HA GLN B 33 13.618 -10.710 -0.523 1.00 0.40 H new ATOM 0 HB2 GLN B 33 11.709 -9.726 -2.674 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.532 -11.273 -2.659 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.490 -10.347 -0.624 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.178 -11.441 -1.957 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.631 -11.044 1.196 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.936 -12.758 1.499 1.00 0.57 H new ATOM 1724 N TYR B 34 14.018 -8.087 -2.454 1.00 0.32 N ATOM 1725 CA TYR B 34 14.942 -7.410 -3.346 1.00 0.32 C ATOM 1726 C TYR B 34 15.326 -6.007 -2.870 1.00 0.30 C ATOM 1727 O TYR B 34 16.359 -5.483 -3.289 1.00 0.37 O ATOM 1728 CB TYR B 34 14.351 -7.334 -4.752 1.00 0.32 C ATOM 1729 CG TYR B 34 12.841 -7.330 -4.793 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.103 -6.408 -4.064 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.154 -8.253 -5.568 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.736 -6.402 -4.100 1.00 0.26 C ATOM 1733 CE2 TYR B 34 10.777 -8.255 -5.613 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.071 -7.330 -4.877 1.00 0.34 C ATOM 1735 OH TYR B 34 8.702 -7.334 -4.925 1.00 0.40 O ATOM 0 H TYR B 34 13.190 -7.545 -2.209 1.00 0.32 H new ATOM 0 HA TYR B 34 15.857 -8.002 -3.352 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.718 -6.431 -5.239 1.00 0.32 H new ATOM 0 HB3 TYR B 34 14.716 -8.181 -5.333 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.619 -5.680 -3.456 1.00 0.26 H new ATOM 0 HD2 TYR B 34 12.706 -8.980 -6.144 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.180 -5.676 -3.525 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.254 -8.978 -6.222 1.00 0.42 H new ATOM 0 HH TYR B 34 8.354 -6.588 -4.393 1.00 0.40 H new ATOM 1745 N PHE B 35 14.523 -5.386 -2.010 1.00 0.27 N ATOM 1746 CA PHE B 35 14.821 -4.020 -1.599 1.00 0.26 C ATOM 1747 C PHE B 35 14.287 -3.688 -0.214 1.00 0.25 C ATOM 1748 O PHE B 35 13.325 -4.291 0.241 1.00 0.25 O ATOM 1749 CB PHE B 35 14.287 -3.008 -2.621 1.00 0.25 C ATOM 1750 CG PHE B 35 12.812 -3.068 -2.915 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.873 -2.948 -1.909 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.371 -3.218 -4.220 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.530 -2.982 -2.189 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.022 -3.256 -4.508 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.099 -3.138 -3.491 1.00 0.18 C ATOM 0 H PHE B 35 13.685 -5.793 -1.595 1.00 0.27 H new ATOM 0 HA PHE B 35 15.908 -3.948 -1.554 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.524 -2.005 -2.265 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.828 -3.150 -3.557 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.201 -2.826 -0.887 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.091 -3.306 -5.020 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.810 -2.887 -1.390 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.690 -3.378 -5.528 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.042 -3.168 -3.712 1.00 0.18 H new ATOM 1765 N THR B 36 14.932 -2.711 0.425 1.00 0.27 N ATOM 1766 CA THR B 36 14.505 -2.158 1.717 1.00 0.27 C ATOM 1767 C THR B 36 15.342 -0.931 2.071 1.00 0.32 C ATOM 1768 O THR B 36 15.996 -0.351 1.205 1.00 0.45 O ATOM 1769 CB THR B 36 14.595 -3.180 2.875 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.687 -4.084 2.660 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.292 -3.936 3.017 1.00 0.27 C ATOM 0 H THR B 36 15.777 -2.274 0.057 1.00 0.27 H new ATOM 0 HA THR B 36 13.456 -1.885 1.599 1.00 0.27 H new ATOM 0 HB THR B 36 14.777 -2.638 3.803 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.733 -4.724 3.401 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.373 -4.651 3.836 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.485 -3.234 3.227 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.078 -4.469 2.091 1.00 0.27 H new ATOM 1779 N ALA B 37 15.301 -0.534 3.333 1.00 0.32 N ATOM 1780 CA ALA B 37 16.099 0.585 3.823 1.00 0.35 C ATOM 1781 C ALA B 37 17.025 0.101 4.924 1.00 0.43 C ATOM 1782 O ALA B 37 17.271 -1.099 5.046 1.00 0.53 O ATOM 1783 CB ALA B 37 15.205 1.695 4.355 1.00 0.29 C ATOM 0 H ALA B 37 14.718 -0.974 4.045 1.00 0.32 H new ATOM 0 HA ALA B 37 16.686 0.984 2.996 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.822 2.518 4.715 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.554 2.051 3.557 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.598 1.312 5.175 1.00 0.29 H new ATOM 1789 N ARG B 38 17.529 1.028 5.723 1.00 0.44 N ATOM 1790 CA ARG B 38 18.390 0.676 6.834 1.00 0.52 C ATOM 1791 C ARG B 38 17.596 -0.060 7.921 1.00 0.56 C ATOM 1792 O ARG B 38 18.084 -1.026 8.505 1.00 0.67 O ATOM 1793 CB ARG B 38 19.071 1.929 7.401 1.00 0.57 C ATOM 1794 CG ARG B 38 18.266 2.675 8.435 1.00 0.67 C ATOM 1795 CD ARG B 38 17.512 3.838 7.848 1.00 0.93 C ATOM 1796 NE ARG B 38 17.072 4.794 8.875 1.00 1.60 N ATOM 1797 CZ ARG B 38 16.394 4.478 9.989 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.030 3.228 10.242 1.00 2.75 N ATOM 1799 NH2 ARG B 38 16.078 5.425 10.857 1.00 2.94 N ATOM 0 H ARG B 38 17.355 2.028 5.621 1.00 0.44 H new ATOM 0 HA ARG B 38 19.167 0.002 6.472 1.00 0.52 H new ATOM 0 HB2 ARG B 38 20.024 1.638 7.844 1.00 0.57 H new ATOM 0 HB3 ARG B 38 19.296 2.607 6.578 1.00 0.57 H new ATOM 0 HG2 ARG B 38 17.561 1.990 8.906 1.00 0.67 H new ATOM 0 HG3 ARG B 38 18.932 3.036 9.219 1.00 0.67 H new ATOM 0 HD2 ARG B 38 18.146 4.351 7.125 1.00 0.93 H new ATOM 0 HD3 ARG B 38 16.643 3.467 7.304 1.00 0.93 H new ATOM 0 HE ARG B 38 17.301 5.777 8.729 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.265 2.485 9.584 1.00 2.75 H new ATOM 0 HH12 ARG B 38 15.515 3.009 11.095 1.00 2.75 H new ATOM 0 HH21 ARG B 38 16.350 6.392 10.678 1.00 2.94 H new ATOM 0 HH22 ARG B 38 15.563 5.188 11.705 1.00 2.94 H new ATOM 1813 N TRP B 39 16.366 0.404 8.159 1.00 0.54 N ATOM 1814 CA TRP B 39 15.434 -0.232 9.092 1.00 0.64 C ATOM 1815 C TRP B 39 16.007 -0.374 10.498 1.00 0.85 C ATOM 1816 O TRP B 39 15.835 0.570 11.294 1.00 1.41 O ATOM 1817 CB TRP B 39 14.978 -1.579 8.535 1.00 0.60 C ATOM 1818 CG TRP B 39 14.034 -1.412 7.400 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.089 -0.460 6.441 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.889 -2.205 7.119 1.00 0.35 C ATOM 1821 NE1 TRP B 39 13.035 -0.597 5.578 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.287 -1.673 5.970 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.317 -3.313 7.726 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.135 -2.216 5.419 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.177 -3.846 7.176 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.597 -3.301 6.034 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.608 -1.423 10.806 1.00 1.45 O ATOM 0 H TRP B 39 15.987 1.236 7.707 1.00 0.54 H new ATOM 0 HA TRP B 39 14.569 0.424 9.189 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.846 -2.150 8.205 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.499 -2.156 9.325 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.854 0.299 6.367 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.840 0.003 4.777 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.758 -3.747 8.611 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.683 -1.792 4.534 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.720 -4.708 7.640 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.702 -3.750 5.629 1.00 0.25 H new