USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 X(o=0,f=0.038) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0.527 (180deg=-2.69!) USER MOD Single : A 63 ASN : amide:sc= -1.52 K(o=-1.5,f=-9!) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.38) USER MOD Single : A 74 CYS SG : rot 64:sc= -0.657 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.12) USER MOD Single : A 76 MET CE :methyl 167:sc= -3.47! (180deg=-3.88!) USER MOD Single : A 77 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot -34:sc= 1.26 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.01 K(o=-1,f=-1.7!) USER MOD Single : A 92 GLN : amide:sc= -0.0332 K(o=-0.033,f=-6!) USER MOD Single : A 93 GLN : amide:sc= -0.61 X(o=-0.61,f=-0.42) USER MOD Single : A 96 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-9.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00403 USER MOD Single : A 102 SER OG : rot -32:sc= 0.229 USER MOD Single : A 106 CYS SG : rot 82:sc= 0.9 USER MOD Single : A 107 ASN : amide:sc= -0.0329 K(o=-0.033,f=-0.57) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 85:sc= 1.25 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -25:sc= -4.26! USER MOD Single : A 128 ASN : amide:sc= -3.44! K(o=-3.4!,f=-0.73) USER MOD Single : A 131 CYS SG : rot 141:sc= -1! USER MOD Single : A 132 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 135 LYS NZ :NH3+ -142:sc= -0.17 (180deg=-0.776) USER MOD Single : A 137 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.534 -4.296 4.454 1.00 0.29 N ATOM 139 CA LYS A 60 -9.975 -3.236 5.293 1.00 0.29 C ATOM 140 C LYS A 60 -8.896 -3.802 6.211 1.00 0.25 C ATOM 141 O LYS A 60 -7.751 -3.365 6.182 1.00 0.26 O ATOM 142 CB LYS A 60 -11.104 -2.583 6.118 1.00 0.37 C ATOM 143 CG LYS A 60 -10.676 -1.414 7.000 1.00 0.57 C ATOM 144 CD LYS A 60 -9.939 -1.872 8.241 1.00 0.43 C ATOM 145 CE LYS A 60 -9.638 -0.709 9.154 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.970 0.405 8.430 1.00 1.62 N ATOM 0 HA LYS A 60 -9.517 -2.478 4.658 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.877 -2.236 5.433 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.558 -3.346 6.750 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.036 -0.744 6.426 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.556 -0.841 7.293 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.540 -2.610 8.773 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.009 -2.364 7.955 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.565 -0.348 9.600 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.000 -1.045 9.972 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.171 0.757 8.995 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.621 0.062 7.512 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.651 1.176 8.275 1.00 1.62 H new ATOM 160 N LEU A 61 -9.263 -4.797 7.000 1.00 0.25 N ATOM 161 CA LEU A 61 -8.315 -5.439 7.888 1.00 0.25 C ATOM 162 C LEU A 61 -7.155 -6.028 7.114 1.00 0.26 C ATOM 163 O LEU A 61 -5.995 -5.867 7.492 1.00 0.30 O ATOM 164 CB LEU A 61 -8.999 -6.525 8.688 1.00 0.30 C ATOM 165 CG LEU A 61 -9.063 -6.255 10.183 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.376 -7.536 10.934 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.762 -5.622 10.676 1.00 0.63 C ATOM 0 H LEU A 61 -10.209 -5.176 7.042 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.926 -4.681 8.568 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.013 -6.654 8.310 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.475 -7.466 8.523 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.866 -5.544 10.377 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.419 -7.330 12.003 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.337 -7.927 10.601 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.597 -8.272 10.738 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.830 -5.438 11.748 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.930 -6.298 10.476 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.596 -4.679 10.156 1.00 0.63 H new ATOM 179 N GLU A 62 -7.490 -6.718 6.040 1.00 0.25 N ATOM 180 CA GLU A 62 -6.505 -7.255 5.128 1.00 0.29 C ATOM 181 C GLU A 62 -5.500 -6.193 4.720 1.00 0.23 C ATOM 182 O GLU A 62 -4.304 -6.357 4.914 1.00 0.20 O ATOM 183 CB GLU A 62 -7.200 -7.788 3.899 1.00 0.39 C ATOM 184 CG GLU A 62 -7.126 -9.290 3.776 1.00 0.63 C ATOM 185 CD GLU A 62 -5.859 -9.781 3.118 1.00 1.48 C ATOM 186 OE1 GLU A 62 -5.733 -9.638 1.888 1.00 2.20 O ATOM 187 OE2 GLU A 62 -4.994 -10.344 3.826 1.00 1.98 O ATOM 0 H GLU A 62 -8.455 -6.921 5.777 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.969 -8.058 5.634 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.246 -7.483 3.921 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.755 -7.335 3.013 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.204 -9.732 4.769 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.983 -9.642 3.202 1.00 0.63 H new ATOM 194 N ASN A 63 -6.010 -5.089 4.203 1.00 0.22 N ATOM 195 CA ASN A 63 -5.189 -4.072 3.581 1.00 0.19 C ATOM 196 C ASN A 63 -4.394 -3.288 4.603 1.00 0.15 C ATOM 197 O ASN A 63 -3.229 -2.974 4.367 1.00 0.16 O ATOM 198 CB ASN A 63 -6.075 -3.146 2.762 1.00 0.21 C ATOM 199 CG ASN A 63 -6.625 -3.824 1.524 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.000 -4.717 0.962 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.808 -3.406 1.097 1.00 0.27 N ATOM 0 H ASN A 63 -7.007 -4.875 4.204 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.468 -4.562 2.927 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.902 -2.797 3.380 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.503 -2.266 2.468 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.231 -3.830 0.272 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.295 -2.660 1.594 1.00 0.27 H new ATOM 208 N GLU A 64 -5.019 -2.968 5.727 1.00 0.15 N ATOM 209 CA GLU A 64 -4.325 -2.420 6.858 1.00 0.16 C ATOM 210 C GLU A 64 -3.117 -3.264 7.195 1.00 0.14 C ATOM 211 O GLU A 64 -1.983 -2.790 7.217 1.00 0.17 O ATOM 212 CB GLU A 64 -5.280 -2.417 8.012 1.00 0.21 C ATOM 213 CG GLU A 64 -6.037 -1.130 8.126 1.00 0.30 C ATOM 214 CD GLU A 64 -6.401 -0.469 6.815 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.548 0.240 6.258 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.563 -0.593 6.392 1.00 1.75 O ATOM 0 H GLU A 64 -6.022 -3.085 5.869 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.979 -1.410 6.637 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.985 -3.241 7.898 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.729 -2.594 8.936 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.954 -1.316 8.685 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.442 -0.430 8.713 1.00 0.30 H new ATOM 223 N LYS A 65 -3.388 -4.535 7.417 1.00 0.13 N ATOM 224 CA LYS A 65 -2.403 -5.478 7.807 1.00 0.14 C ATOM 225 C LYS A 65 -1.346 -5.664 6.725 1.00 0.12 C ATOM 226 O LYS A 65 -0.157 -5.557 7.002 1.00 0.14 O ATOM 227 CB LYS A 65 -3.092 -6.774 8.117 1.00 0.20 C ATOM 228 CG LYS A 65 -2.127 -7.896 8.179 1.00 0.44 C ATOM 229 CD LYS A 65 -2.472 -8.861 9.279 1.00 0.86 C ATOM 230 CE LYS A 65 -1.348 -9.852 9.503 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.190 -9.223 10.192 1.00 1.93 N ATOM 0 H LYS A 65 -4.323 -4.932 7.325 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.880 -5.113 8.691 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.617 -6.690 9.068 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.844 -6.980 7.355 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.116 -8.421 7.224 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.122 -7.505 8.339 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -2.668 -8.313 10.201 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -3.388 -9.395 9.025 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -1.714 -10.689 10.097 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.025 -10.258 8.545 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.435 -9.964 10.569 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.339 -8.635 9.516 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.532 -8.629 10.974 1.00 1.93 H new ATOM 245 N LEU A 66 -1.789 -5.932 5.496 1.00 0.11 N ATOM 246 CA LEU A 66 -0.882 -6.123 4.366 1.00 0.10 C ATOM 247 C LEU A 66 0.018 -4.913 4.202 1.00 0.08 C ATOM 248 O LEU A 66 1.214 -5.044 3.944 1.00 0.08 O ATOM 249 CB LEU A 66 -1.663 -6.355 3.072 1.00 0.10 C ATOM 250 CG LEU A 66 -2.489 -7.637 3.017 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.374 -7.640 1.782 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.574 -8.849 3.024 1.00 0.17 C ATOM 0 H LEU A 66 -2.777 -6.022 5.258 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.272 -7.003 4.571 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.331 -5.508 2.916 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.958 -6.363 2.241 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.129 -7.683 3.898 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.958 -8.560 1.755 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.048 -6.784 1.815 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.752 -7.578 0.889 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.174 -9.758 2.985 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.914 -8.812 2.157 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.976 -8.848 3.935 1.00 0.17 H new ATOM 264 N PHE A 67 -0.567 -3.734 4.360 1.00 0.07 N ATOM 265 CA PHE A 67 0.185 -2.503 4.318 1.00 0.06 C ATOM 266 C PHE A 67 1.298 -2.528 5.354 1.00 0.06 C ATOM 267 O PHE A 67 2.439 -2.204 5.050 1.00 0.07 O ATOM 268 CB PHE A 67 -0.727 -1.307 4.561 1.00 0.08 C ATOM 269 CG PHE A 67 0.009 -0.012 4.527 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.820 0.283 3.454 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.097 0.897 5.563 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.523 1.471 3.406 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.597 2.086 5.523 1.00 0.12 C ATOM 274 CZ PHE A 67 1.408 2.372 4.442 1.00 0.09 C ATOM 0 H PHE A 67 -1.567 -3.611 4.519 1.00 0.07 H new ATOM 0 HA PHE A 67 0.627 -2.407 3.326 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.513 -1.294 3.806 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.216 -1.418 5.529 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.907 -0.422 2.641 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.729 0.673 6.410 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.159 1.692 2.562 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.507 2.793 6.335 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.953 3.304 4.409 1.00 0.09 H new ATOM 284 N GLU A 68 0.957 -2.923 6.576 1.00 0.08 N ATOM 285 CA GLU A 68 1.946 -3.038 7.644 1.00 0.09 C ATOM 286 C GLU A 68 2.982 -4.088 7.298 1.00 0.10 C ATOM 287 O GLU A 68 4.167 -3.888 7.521 1.00 0.12 O ATOM 288 CB GLU A 68 1.293 -3.414 8.973 1.00 0.14 C ATOM 289 CG GLU A 68 0.064 -2.603 9.286 1.00 0.21 C ATOM 290 CD GLU A 68 -0.410 -2.775 10.713 1.00 0.87 C ATOM 291 OE1 GLU A 68 -0.793 -3.906 11.084 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.401 -1.784 11.471 1.00 1.19 O ATOM 0 H GLU A 68 0.006 -3.169 6.852 1.00 0.08 H new ATOM 0 HA GLU A 68 2.423 -2.063 7.746 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.026 -4.471 8.952 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.019 -3.284 9.776 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.274 -1.549 9.103 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.737 -2.891 8.606 1.00 0.21 H new ATOM 299 N GLU A 69 2.527 -5.197 6.730 1.00 0.10 N ATOM 300 CA GLU A 69 3.420 -6.289 6.354 1.00 0.12 C ATOM 301 C GLU A 69 4.488 -5.777 5.399 1.00 0.11 C ATOM 302 O GLU A 69 5.664 -6.134 5.492 1.00 0.14 O ATOM 303 CB GLU A 69 2.632 -7.396 5.661 1.00 0.15 C ATOM 304 CG GLU A 69 1.486 -7.966 6.477 1.00 0.25 C ATOM 305 CD GLU A 69 1.949 -8.787 7.658 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.344 -9.952 7.462 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.928 -8.268 8.789 1.00 1.21 O ATOM 0 H GLU A 69 1.544 -5.366 6.519 1.00 0.10 H new ATOM 0 HA GLU A 69 3.887 -6.682 7.257 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.234 -7.008 4.723 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.316 -8.205 5.406 1.00 0.15 H new ATOM 0 HG2 GLU A 69 0.860 -7.148 6.834 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.863 -8.586 5.833 1.00 0.25 H new ATOM 314 N PHE A 70 4.047 -4.918 4.499 1.00 0.09 N ATOM 315 CA PHE A 70 4.887 -4.336 3.489 1.00 0.09 C ATOM 316 C PHE A 70 5.693 -3.190 4.098 1.00 0.08 C ATOM 317 O PHE A 70 6.871 -3.022 3.803 1.00 0.10 O ATOM 318 CB PHE A 70 3.998 -3.858 2.344 1.00 0.09 C ATOM 319 CG PHE A 70 4.728 -3.226 1.209 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.071 -1.899 1.280 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.056 -3.949 0.073 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.731 -1.286 0.244 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.723 -3.342 -0.974 1.00 0.13 C ATOM 324 CZ PHE A 70 6.062 -2.005 -0.886 1.00 0.13 C ATOM 0 H PHE A 70 3.077 -4.605 4.455 1.00 0.09 H new ATOM 0 HA PHE A 70 5.596 -5.066 3.099 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.430 -4.707 1.965 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.276 -3.142 2.737 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.818 -1.330 2.162 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.789 -4.993 0.006 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.991 -0.240 0.314 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.978 -3.910 -1.857 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.585 -1.524 -1.700 1.00 0.13 H new ATOM 334 N LEU A 71 5.035 -2.404 4.945 1.00 0.07 N ATOM 335 CA LEU A 71 5.670 -1.301 5.641 1.00 0.08 C ATOM 336 C LEU A 71 6.833 -1.758 6.515 1.00 0.08 C ATOM 337 O LEU A 71 7.946 -1.248 6.394 1.00 0.09 O ATOM 338 CB LEU A 71 4.648 -0.554 6.486 1.00 0.09 C ATOM 339 CG LEU A 71 4.145 0.731 5.848 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.652 1.705 6.888 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.243 1.357 5.034 1.00 0.10 C ATOM 0 H LEU A 71 4.046 -2.518 5.165 1.00 0.07 H new ATOM 0 HA LEU A 71 6.076 -0.634 4.881 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.799 -1.210 6.677 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.093 -0.319 7.453 1.00 0.09 H new ATOM 0 HG LEU A 71 3.306 0.483 5.199 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.300 2.613 6.398 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.834 1.254 7.449 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.466 1.953 7.569 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.878 2.278 4.578 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.091 1.583 5.680 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.556 0.665 4.252 1.00 0.10 H new ATOM 353 N GLU A 72 6.561 -2.701 7.408 1.00 0.08 N ATOM 354 CA GLU A 72 7.603 -3.297 8.250 1.00 0.11 C ATOM 355 C GLU A 72 8.709 -3.858 7.383 1.00 0.09 C ATOM 356 O GLU A 72 9.892 -3.689 7.669 1.00 0.12 O ATOM 357 CB GLU A 72 7.030 -4.411 9.115 1.00 0.19 C ATOM 358 CG GLU A 72 5.858 -3.950 9.940 1.00 0.26 C ATOM 359 CD GLU A 72 6.242 -2.929 10.987 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.786 -3.328 12.038 1.00 0.89 O ATOM 361 OE2 GLU A 72 6.013 -1.724 10.765 1.00 1.13 O ATOM 0 H GLU A 72 5.626 -3.074 7.572 1.00 0.08 H new ATOM 0 HA GLU A 72 8.002 -2.517 8.899 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.719 -5.239 8.478 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.809 -4.792 9.776 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.103 -3.521 9.281 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.403 -4.811 10.429 1.00 0.26 H new ATOM 368 N LEU A 73 8.297 -4.534 6.324 1.00 0.10 N ATOM 369 CA LEU A 73 9.222 -5.020 5.308 1.00 0.11 C ATOM 370 C LEU A 73 10.110 -3.890 4.823 1.00 0.10 C ATOM 371 O LEU A 73 11.327 -4.022 4.806 1.00 0.12 O ATOM 372 CB LEU A 73 8.443 -5.605 4.130 1.00 0.14 C ATOM 373 CG LEU A 73 9.282 -6.056 2.932 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.910 -7.413 3.185 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.434 -6.084 1.675 1.00 0.46 C ATOM 0 H LEU A 73 7.319 -4.761 6.143 1.00 0.10 H new ATOM 0 HA LEU A 73 9.847 -5.798 5.748 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.868 -6.459 4.488 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.726 -4.859 3.787 1.00 0.14 H new ATOM 0 HG LEU A 73 10.089 -5.336 2.792 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.500 -7.708 2.317 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.556 -7.357 4.061 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.126 -8.150 3.358 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.044 -6.407 0.831 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.606 -6.779 1.810 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.042 -5.086 1.478 1.00 0.46 H new ATOM 387 N CYS A 74 9.497 -2.775 4.455 1.00 0.09 N ATOM 388 CA CYS A 74 10.252 -1.619 3.994 1.00 0.10 C ATOM 389 C CYS A 74 11.228 -1.154 5.066 1.00 0.11 C ATOM 390 O CYS A 74 12.386 -0.910 4.776 1.00 0.14 O ATOM 391 CB CYS A 74 9.326 -0.476 3.591 1.00 0.10 C ATOM 392 SG CYS A 74 8.226 -0.886 2.224 1.00 0.11 S ATOM 0 H CYS A 74 8.485 -2.646 4.466 1.00 0.09 H new ATOM 0 HA CYS A 74 10.817 -1.923 3.113 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.727 -0.184 4.453 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.929 0.389 3.314 1.00 0.10 H new ATOM 0 HG CYS A 74 7.420 -1.839 2.587 1.00 0.11 H new ATOM 398 N LYS A 75 10.782 -1.099 6.321 1.00 0.11 N ATOM 399 CA LYS A 75 11.651 -0.692 7.421 1.00 0.12 C ATOM 400 C LYS A 75 12.857 -1.622 7.526 1.00 0.13 C ATOM 401 O LYS A 75 13.875 -1.283 8.128 1.00 0.16 O ATOM 402 CB LYS A 75 10.872 -0.708 8.733 1.00 0.13 C ATOM 403 CG LYS A 75 9.729 0.270 8.773 1.00 0.18 C ATOM 404 CD LYS A 75 8.869 0.027 9.988 1.00 0.20 C ATOM 405 CE LYS A 75 7.698 0.980 10.026 1.00 0.30 C ATOM 406 NZ LYS A 75 6.801 0.727 11.185 1.00 0.32 N ATOM 0 H LYS A 75 9.828 -1.330 6.599 1.00 0.11 H new ATOM 0 HA LYS A 75 12.006 0.319 7.224 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.484 -1.713 8.902 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.555 -0.488 9.553 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.115 1.289 8.791 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.128 0.173 7.869 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.505 -1.000 9.980 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.468 0.146 10.891 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.068 2.004 10.072 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.128 0.888 9.102 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.180 1.549 11.329 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.222 -0.116 10.998 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.373 0.571 12.039 1.00 0.32 H new ATOM 420 N MET A 76 12.725 -2.800 6.936 1.00 0.12 N ATOM 421 CA MET A 76 13.789 -3.786 6.938 1.00 0.13 C ATOM 422 C MET A 76 14.744 -3.582 5.761 1.00 0.14 C ATOM 423 O MET A 76 15.955 -3.736 5.915 1.00 0.16 O ATOM 424 CB MET A 76 13.193 -5.198 6.910 1.00 0.14 C ATOM 425 CG MET A 76 12.378 -5.531 8.149 1.00 0.15 C ATOM 426 SD MET A 76 12.015 -7.292 8.304 1.00 0.21 S ATOM 427 CE MET A 76 10.922 -7.538 6.914 1.00 0.40 C ATOM 0 H MET A 76 11.881 -3.096 6.445 1.00 0.12 H new ATOM 0 HA MET A 76 14.367 -3.661 7.854 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.560 -5.300 6.029 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.000 -5.924 6.809 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.921 -5.199 9.034 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.442 -4.974 8.121 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.795 -8.606 6.736 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.953 -7.088 7.129 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.350 -7.071 6.027 1.00 0.40 H new ATOM 437 N GLN A 77 14.212 -3.224 4.593 1.00 0.14 N ATOM 438 CA GLN A 77 15.030 -3.121 3.391 1.00 0.15 C ATOM 439 C GLN A 77 15.345 -1.676 2.975 1.00 0.16 C ATOM 440 O GLN A 77 16.293 -1.450 2.226 1.00 0.22 O ATOM 441 CB GLN A 77 14.364 -3.846 2.221 1.00 0.19 C ATOM 442 CG GLN A 77 12.980 -4.410 2.500 1.00 0.21 C ATOM 443 CD GLN A 77 12.885 -5.885 2.185 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.602 -6.282 1.058 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.085 -6.710 3.195 1.00 0.25 N ATOM 0 H GLN A 77 13.226 -3.002 4.456 1.00 0.14 H new ATOM 0 HA GLN A 77 15.978 -3.595 3.644 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.292 -3.154 1.382 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.013 -4.663 1.906 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.729 -4.248 3.548 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.243 -3.867 1.908 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.318 -6.341 4.117 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.006 -7.717 3.054 1.00 0.25 H new ATOM 454 N THR A 78 14.598 -0.699 3.467 1.00 0.17 N ATOM 455 CA THR A 78 14.766 0.672 2.997 1.00 0.22 C ATOM 456 C THR A 78 15.496 1.507 4.032 1.00 0.30 C ATOM 457 O THR A 78 15.061 2.605 4.370 1.00 0.32 O ATOM 458 CB THR A 78 13.425 1.377 2.662 1.00 0.17 C ATOM 459 OG1 THR A 78 12.622 1.527 3.837 1.00 0.14 O ATOM 460 CG2 THR A 78 12.640 0.615 1.612 1.00 0.22 C ATOM 0 H THR A 78 13.880 -0.824 4.180 1.00 0.17 H new ATOM 0 HA THR A 78 15.347 0.596 2.078 1.00 0.22 H new ATOM 0 HB THR A 78 13.673 2.361 2.264 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.766 0.762 4.432 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.707 1.139 1.404 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.229 0.545 0.697 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.419 -0.387 1.979 1.00 0.22 H new ATOM 468 N ALA A 79 16.593 0.988 4.561 1.00 0.38 N ATOM 469 CA ALA A 79 17.402 1.732 5.515 1.00 0.50 C ATOM 470 C ALA A 79 17.898 3.050 4.935 1.00 0.52 C ATOM 471 O ALA A 79 18.100 4.025 5.659 1.00 0.55 O ATOM 472 CB ALA A 79 18.578 0.891 5.938 1.00 0.67 C ATOM 0 H ALA A 79 16.944 0.055 4.346 1.00 0.38 H new ATOM 0 HA ALA A 79 16.775 1.965 6.376 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.185 1.447 6.653 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.220 -0.027 6.403 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.181 0.644 5.065 1.00 0.67 H new ATOM 478 N ASP A 80 18.096 3.069 3.628 1.00 0.53 N ATOM 479 CA ASP A 80 18.570 4.260 2.944 1.00 0.57 C ATOM 480 C ASP A 80 17.413 5.214 2.687 1.00 0.52 C ATOM 481 O ASP A 80 17.601 6.405 2.421 1.00 0.57 O ATOM 482 CB ASP A 80 19.242 3.854 1.629 1.00 0.65 C ATOM 483 CG ASP A 80 19.820 5.018 0.850 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.756 5.670 1.361 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.336 5.299 -0.264 1.00 1.46 O ATOM 0 H ASP A 80 17.935 2.269 3.017 1.00 0.53 H new ATOM 0 HA ASP A 80 19.299 4.775 3.570 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.039 3.142 1.844 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.513 3.337 1.004 1.00 0.65 H new ATOM 490 N HIS A 81 16.208 4.682 2.793 1.00 0.43 N ATOM 491 CA HIS A 81 15.001 5.483 2.611 1.00 0.38 C ATOM 492 C HIS A 81 13.986 5.249 3.722 1.00 0.29 C ATOM 493 O HIS A 81 12.883 4.775 3.468 1.00 0.23 O ATOM 494 CB HIS A 81 14.352 5.213 1.253 1.00 0.41 C ATOM 495 CG HIS A 81 15.062 5.888 0.117 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.678 7.113 -0.388 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.153 5.518 -0.593 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.501 7.462 -1.360 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.404 6.513 -1.504 1.00 0.86 N ATOM 0 H HIS A 81 16.035 3.699 3.004 1.00 0.43 H new ATOM 0 HA HIS A 81 15.315 6.526 2.651 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.332 4.138 1.074 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.316 5.551 1.278 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.721 4.608 -0.466 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.444 8.372 -1.939 1.00 1.08 H new ATOM 0 HE2 HIS A 81 17.166 6.517 -2.182 1.00 0.86 H new ATOM 508 N PRO A 82 14.339 5.582 4.972 1.00 0.32 N ATOM 509 CA PRO A 82 13.414 5.499 6.107 1.00 0.29 C ATOM 510 C PRO A 82 12.235 6.458 5.967 1.00 0.26 C ATOM 511 O PRO A 82 11.266 6.377 6.716 1.00 0.29 O ATOM 512 CB PRO A 82 14.292 5.891 7.294 1.00 0.38 C ATOM 513 CG PRO A 82 15.362 6.720 6.695 1.00 0.44 C ATOM 514 CD PRO A 82 15.670 6.026 5.412 1.00 0.41 C ATOM 0 HA PRO A 82 12.960 4.512 6.200 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.727 6.449 8.041 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.701 5.013 7.794 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.028 7.744 6.526 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.238 6.773 7.342 1.00 0.44 H new ATOM 0 HD2 PRO A 82 16.136 6.695 4.689 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.352 5.188 5.556 1.00 0.41 H new ATOM 522 N GLU A 83 12.341 7.365 5.001 1.00 0.23 N ATOM 523 CA GLU A 83 11.269 8.305 4.677 1.00 0.21 C ATOM 524 C GLU A 83 10.166 7.616 3.887 1.00 0.17 C ATOM 525 O GLU A 83 9.044 8.115 3.785 1.00 0.18 O ATOM 526 CB GLU A 83 11.831 9.442 3.835 1.00 0.28 C ATOM 527 CG GLU A 83 12.389 8.934 2.530 1.00 0.46 C ATOM 528 CD GLU A 83 13.200 9.956 1.764 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.600 10.847 1.129 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.441 9.858 1.780 1.00 0.95 O ATOM 0 H GLU A 83 13.172 7.471 4.419 1.00 0.23 H new ATOM 0 HA GLU A 83 10.855 8.688 5.610 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.047 10.173 3.638 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.614 9.957 4.392 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.015 8.065 2.729 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.565 8.596 1.902 1.00 0.46 H new ATOM 537 N VAL A 84 10.517 6.482 3.312 1.00 0.15 N ATOM 538 CA VAL A 84 9.632 5.729 2.453 1.00 0.14 C ATOM 539 C VAL A 84 8.419 5.225 3.213 1.00 0.11 C ATOM 540 O VAL A 84 7.306 5.268 2.709 1.00 0.11 O ATOM 541 CB VAL A 84 10.420 4.579 1.795 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.596 3.329 1.650 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.949 5.028 0.446 1.00 0.21 C ATOM 0 H VAL A 84 11.436 6.055 3.431 1.00 0.15 H new ATOM 0 HA VAL A 84 9.251 6.383 1.668 1.00 0.14 H new ATOM 0 HB VAL A 84 11.254 4.331 2.451 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.197 2.550 1.181 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.269 2.993 2.634 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.724 3.538 1.030 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.505 4.213 -0.016 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.115 5.308 -0.197 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.607 5.886 0.581 1.00 0.21 H new ATOM 553 N VAL A 85 8.641 4.774 4.429 1.00 0.09 N ATOM 554 CA VAL A 85 7.565 4.307 5.270 1.00 0.09 C ATOM 555 C VAL A 85 6.573 5.424 5.614 1.00 0.10 C ATOM 556 O VAL A 85 5.387 5.263 5.392 1.00 0.10 O ATOM 557 CB VAL A 85 8.121 3.657 6.536 1.00 0.10 C ATOM 558 CG1 VAL A 85 7.023 3.452 7.555 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.806 2.355 6.165 1.00 0.11 C ATOM 0 H VAL A 85 9.565 4.722 4.858 1.00 0.09 H new ATOM 0 HA VAL A 85 7.011 3.556 4.707 1.00 0.09 H new ATOM 0 HB VAL A 85 8.859 4.314 6.997 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.439 2.988 8.449 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.585 4.415 7.816 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.253 2.805 7.135 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.206 1.885 7.064 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.085 1.686 5.695 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.620 2.558 5.469 1.00 0.11 H new ATOM 569 N PRO A 86 7.034 6.552 6.177 1.00 0.12 N ATOM 570 CA PRO A 86 6.193 7.729 6.385 1.00 0.14 C ATOM 571 C PRO A 86 5.450 8.140 5.112 1.00 0.14 C ATOM 572 O PRO A 86 4.280 8.498 5.163 1.00 0.18 O ATOM 573 CB PRO A 86 7.158 8.836 6.802 1.00 0.18 C ATOM 574 CG PRO A 86 8.493 8.200 6.987 1.00 0.18 C ATOM 575 CD PRO A 86 8.380 6.733 6.698 1.00 0.14 C ATOM 0 HA PRO A 86 5.424 7.528 7.131 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.204 9.615 6.041 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.825 9.311 7.725 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.224 8.659 6.322 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.847 8.357 8.006 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.129 6.415 5.973 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.537 6.140 7.599 1.00 0.14 H new ATOM 583 N PHE A 87 6.132 8.060 3.970 1.00 0.13 N ATOM 584 CA PHE A 87 5.548 8.397 2.679 1.00 0.14 C ATOM 585 C PHE A 87 4.482 7.375 2.323 1.00 0.12 C ATOM 586 O PHE A 87 3.438 7.702 1.759 1.00 0.12 O ATOM 587 CB PHE A 87 6.654 8.387 1.617 1.00 0.18 C ATOM 588 CG PHE A 87 6.286 8.996 0.296 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.044 9.554 0.097 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.205 9.025 -0.738 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.715 10.138 -1.107 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.884 9.602 -1.952 1.00 1.01 C ATOM 593 CZ PHE A 87 5.636 10.161 -2.136 1.00 0.69 C ATOM 0 H PHE A 87 7.105 7.759 3.917 1.00 0.13 H new ATOM 0 HA PHE A 87 5.091 9.386 2.723 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.519 8.918 2.014 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.963 7.355 1.448 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.317 9.534 0.895 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.184 8.592 -0.595 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.738 10.577 -1.246 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.607 9.615 -2.754 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.380 10.615 -3.082 1.00 0.69 H new ATOM 603 N LEU A 88 4.739 6.150 2.723 1.00 0.10 N ATOM 604 CA LEU A 88 3.861 5.050 2.431 1.00 0.09 C ATOM 605 C LEU A 88 2.653 5.164 3.320 1.00 0.08 C ATOM 606 O LEU A 88 1.504 5.105 2.878 1.00 0.09 O ATOM 607 CB LEU A 88 4.576 3.739 2.741 1.00 0.09 C ATOM 608 CG LEU A 88 5.031 2.935 1.541 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.884 1.777 1.993 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.838 2.426 0.772 1.00 0.10 C ATOM 0 H LEU A 88 5.566 5.892 3.261 1.00 0.10 H new ATOM 0 HA LEU A 88 3.570 5.070 1.381 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.447 3.960 3.358 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.910 3.117 3.340 1.00 0.09 H new ATOM 0 HG LEU A 88 5.620 3.579 0.888 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.208 1.203 1.125 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.757 2.154 2.525 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.304 1.135 2.657 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.179 1.850 -0.088 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.233 1.790 1.418 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.239 3.270 0.429 1.00 0.10 H new ATOM 622 N TYR A 89 2.961 5.355 4.592 1.00 0.08 N ATOM 623 CA TYR A 89 1.988 5.435 5.637 1.00 0.09 C ATOM 624 C TYR A 89 1.021 6.556 5.349 1.00 0.09 C ATOM 625 O TYR A 89 -0.184 6.374 5.354 1.00 0.11 O ATOM 626 CB TYR A 89 2.711 5.728 6.949 1.00 0.10 C ATOM 627 CG TYR A 89 2.386 4.757 8.031 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.092 4.350 8.206 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.366 4.242 8.860 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.753 3.455 9.180 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.049 3.340 9.846 1.00 0.20 C ATOM 632 CZ TYR A 89 1.732 2.942 10.004 1.00 0.22 C ATOM 633 OH TYR A 89 1.395 2.036 10.984 1.00 0.27 O ATOM 0 H TYR A 89 3.921 5.460 4.921 1.00 0.08 H new ATOM 0 HA TYR A 89 1.440 4.495 5.703 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.787 5.718 6.773 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.451 6.733 7.282 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.322 4.745 7.560 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.392 4.553 8.731 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.276 3.151 9.304 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.819 2.945 10.492 1.00 0.20 H new ATOM 0 HH TYR A 89 2.200 1.772 11.476 1.00 0.27 H new ATOM 643 N ASN A 90 1.600 7.707 5.070 1.00 0.09 N ATOM 644 CA ASN A 90 0.881 8.907 4.687 1.00 0.09 C ATOM 645 C ASN A 90 -0.098 8.633 3.567 1.00 0.09 C ATOM 646 O ASN A 90 -1.296 8.852 3.719 1.00 0.10 O ATOM 647 CB ASN A 90 1.908 9.920 4.228 1.00 0.11 C ATOM 648 CG ASN A 90 1.306 11.105 3.533 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.338 11.707 3.992 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.858 11.399 2.383 1.00 0.40 N ATOM 0 H ASN A 90 2.611 7.837 5.104 1.00 0.09 H new ATOM 0 HA ASN A 90 0.307 9.277 5.537 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.478 10.265 5.091 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.613 9.432 3.554 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.485 12.163 1.819 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.661 10.865 2.051 1.00 0.40 H new ATOM 657 N ARG A 91 0.425 8.149 2.448 1.00 0.08 N ATOM 658 CA ARG A 91 -0.385 7.843 1.280 1.00 0.10 C ATOM 659 C ARG A 91 -1.555 6.942 1.645 1.00 0.09 C ATOM 660 O ARG A 91 -2.678 7.162 1.201 1.00 0.11 O ATOM 661 CB ARG A 91 0.474 7.169 0.211 1.00 0.13 C ATOM 662 CG ARG A 91 1.405 8.122 -0.509 1.00 0.16 C ATOM 663 CD ARG A 91 0.618 9.145 -1.303 1.00 0.29 C ATOM 664 NE ARG A 91 1.477 10.168 -1.900 1.00 0.88 N ATOM 665 CZ ARG A 91 1.499 11.447 -1.521 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.793 11.851 -0.473 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.248 12.317 -2.183 1.00 1.64 N ATOM 0 H ARG A 91 1.420 7.959 2.326 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.783 8.779 0.889 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.064 6.379 0.676 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.179 6.691 -0.519 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.044 8.629 0.214 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.060 7.563 -1.177 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.060 8.639 -2.090 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.113 9.623 -0.651 1.00 0.29 H new ATOM 0 HE ARG A 91 2.100 9.885 -2.656 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.228 11.182 0.050 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.815 12.831 -0.190 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.805 12.008 -2.980 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.267 13.296 -1.896 1.00 1.64 H new ATOM 681 N GLN A 92 -1.281 5.944 2.463 1.00 0.09 N ATOM 682 CA GLN A 92 -2.293 4.986 2.867 1.00 0.12 C ATOM 683 C GLN A 92 -3.268 5.617 3.854 1.00 0.11 C ATOM 684 O GLN A 92 -4.481 5.458 3.736 1.00 0.13 O ATOM 685 CB GLN A 92 -1.608 3.770 3.478 1.00 0.18 C ATOM 686 CG GLN A 92 -2.429 2.504 3.388 1.00 0.35 C ATOM 687 CD GLN A 92 -3.241 2.226 4.632 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.618 3.132 5.375 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.514 0.961 4.862 1.00 0.36 N ATOM 0 H GLN A 92 -0.358 5.775 2.864 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.867 4.673 1.995 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.654 3.611 2.976 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.387 3.976 4.525 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.101 2.576 2.533 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.764 1.661 3.201 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.181 0.242 4.219 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.059 0.698 5.683 1.00 0.36 H new ATOM 698 N GLN A 93 -2.724 6.354 4.807 1.00 0.12 N ATOM 699 CA GLN A 93 -3.517 7.029 5.822 1.00 0.14 C ATOM 700 C GLN A 93 -4.502 8.005 5.191 1.00 0.16 C ATOM 701 O GLN A 93 -5.631 8.161 5.658 1.00 0.20 O ATOM 702 CB GLN A 93 -2.600 7.768 6.803 1.00 0.15 C ATOM 703 CG GLN A 93 -1.885 6.848 7.778 1.00 0.15 C ATOM 704 CD GLN A 93 -2.809 5.847 8.438 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.409 6.120 9.476 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.905 4.668 7.846 1.00 0.22 N ATOM 0 H GLN A 93 -1.719 6.502 4.900 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.087 6.274 6.363 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.858 8.333 6.239 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.191 8.491 7.365 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.096 6.312 7.250 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.402 7.450 8.548 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.389 4.486 6.985 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.495 3.941 8.250 1.00 0.22 H new ATOM 715 N ARG A 94 -4.067 8.660 4.125 1.00 0.14 N ATOM 716 CA ARG A 94 -4.895 9.636 3.434 1.00 0.15 C ATOM 717 C ARG A 94 -5.705 8.990 2.314 1.00 0.14 C ATOM 718 O ARG A 94 -6.519 9.644 1.661 1.00 0.19 O ATOM 719 CB ARG A 94 -4.003 10.736 2.885 1.00 0.21 C ATOM 720 CG ARG A 94 -3.119 10.290 1.746 1.00 0.76 C ATOM 721 CD ARG A 94 -1.860 11.128 1.678 1.00 0.64 C ATOM 722 NE ARG A 94 -2.149 12.562 1.641 1.00 0.86 N ATOM 723 CZ ARG A 94 -2.239 13.286 0.521 1.00 1.04 C ATOM 724 NH1 ARG A 94 -2.162 12.700 -0.668 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.432 14.598 0.592 1.00 1.40 N ATOM 0 H ARG A 94 -3.140 8.532 3.718 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.609 10.058 4.142 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.628 11.562 2.546 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.377 11.119 3.691 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.855 9.240 1.875 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.664 10.369 0.805 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.233 10.908 2.542 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.290 10.852 0.791 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.291 13.041 2.530 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -2.033 11.690 -0.731 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -2.232 13.260 -1.518 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.512 15.053 1.501 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -2.501 15.150 -0.263 1.00 1.40 H new ATOM 739 N ALA A 95 -5.486 7.705 2.102 1.00 0.12 N ATOM 740 CA ALA A 95 -6.187 6.971 1.052 1.00 0.12 C ATOM 741 C ALA A 95 -7.642 6.772 1.436 1.00 0.13 C ATOM 742 O ALA A 95 -8.006 6.903 2.607 1.00 0.17 O ATOM 743 CB ALA A 95 -5.523 5.627 0.781 1.00 0.13 C ATOM 0 H ALA A 95 -4.828 7.143 2.642 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.138 7.560 0.136 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.068 5.104 -0.005 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.493 5.788 0.464 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.533 5.026 1.690 1.00 0.13 H new ATOM 749 N HIS A 96 -8.475 6.479 0.448 1.00 0.12 N ATOM 750 CA HIS A 96 -9.896 6.288 0.670 1.00 0.13 C ATOM 751 C HIS A 96 -10.144 5.065 1.535 1.00 0.13 C ATOM 752 O HIS A 96 -9.710 3.973 1.197 1.00 0.12 O ATOM 753 CB HIS A 96 -10.601 6.103 -0.672 1.00 0.14 C ATOM 754 CG HIS A 96 -12.040 6.489 -0.628 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.890 5.921 0.277 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.719 7.400 -1.366 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.060 6.489 0.081 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.008 7.394 -0.904 1.00 0.25 N ATOM 0 H HIS A 96 -8.185 6.368 -0.524 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.288 7.167 1.181 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.093 6.700 -1.429 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.519 5.061 -0.980 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.321 8.011 -2.163 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.951 6.255 0.644 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.779 7.968 -1.245 1.00 0.25 H new ATOM 766 N SER A 97 -10.831 5.267 2.656 1.00 0.16 N ATOM 767 CA SER A 97 -11.219 4.176 3.541 1.00 0.20 C ATOM 768 C SER A 97 -11.944 3.061 2.783 1.00 0.18 C ATOM 769 O SER A 97 -11.728 1.883 3.063 1.00 0.18 O ATOM 770 CB SER A 97 -12.097 4.718 4.663 1.00 0.29 C ATOM 771 OG SER A 97 -11.486 5.843 5.277 1.00 1.32 O ATOM 0 H SER A 97 -11.133 6.188 2.974 1.00 0.16 H new ATOM 0 HA SER A 97 -10.313 3.742 3.964 1.00 0.20 H new ATOM 0 HB2 SER A 97 -13.072 4.999 4.265 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.268 3.939 5.406 1.00 0.29 H new ATOM 0 HG SER A 97 -12.064 6.179 5.994 1.00 1.32 H new ATOM 777 N LEU A 98 -12.807 3.429 1.835 1.00 0.18 N ATOM 778 CA LEU A 98 -13.445 2.450 0.960 1.00 0.18 C ATOM 779 C LEU A 98 -12.412 1.650 0.198 1.00 0.15 C ATOM 780 O LEU A 98 -12.518 0.437 0.069 1.00 0.18 O ATOM 781 CB LEU A 98 -14.347 3.133 -0.053 1.00 0.21 C ATOM 782 CG LEU A 98 -15.732 3.513 0.447 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.549 4.084 -0.698 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.432 2.309 1.064 1.00 0.61 C ATOM 0 H LEU A 98 -13.078 4.396 1.655 1.00 0.18 H new ATOM 0 HA LEU A 98 -14.032 1.790 1.598 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.848 4.036 -0.406 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.460 2.474 -0.914 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.633 4.273 1.222 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.541 4.356 -0.337 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.052 4.970 -1.094 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.642 3.337 -1.487 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.421 2.604 1.415 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.532 1.523 0.315 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.845 1.938 1.904 1.00 0.61 H new ATOM 796 N PHE A 99 -11.416 2.355 -0.300 1.00 0.12 N ATOM 797 CA PHE A 99 -10.347 1.740 -1.075 1.00 0.11 C ATOM 798 C PHE A 99 -9.474 0.872 -0.178 1.00 0.11 C ATOM 799 O PHE A 99 -9.059 -0.221 -0.563 1.00 0.12 O ATOM 800 CB PHE A 99 -9.505 2.801 -1.779 1.00 0.12 C ATOM 801 CG PHE A 99 -8.283 2.242 -2.440 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.403 1.475 -3.579 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.021 2.486 -1.928 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.288 0.953 -4.202 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.900 1.971 -2.545 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.008 1.214 -3.648 1.00 0.18 C ATOM 0 H PHE A 99 -11.321 3.364 -0.182 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.799 1.107 -1.838 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.117 3.304 -2.528 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.204 3.557 -1.054 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.383 1.280 -3.989 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.913 3.086 -1.036 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.388 0.356 -5.096 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.923 2.180 -2.135 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.123 0.805 -4.113 1.00 0.18 H new ATOM 816 N LEU A 100 -9.213 1.358 1.021 1.00 0.12 N ATOM 817 CA LEU A 100 -8.476 0.601 2.019 1.00 0.14 C ATOM 818 C LEU A 100 -9.237 -0.658 2.404 1.00 0.16 C ATOM 819 O LEU A 100 -8.656 -1.622 2.880 1.00 0.21 O ATOM 820 CB LEU A 100 -8.234 1.467 3.247 1.00 0.17 C ATOM 821 CG LEU A 100 -7.513 2.773 2.963 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.684 3.732 4.122 1.00 0.21 C ATOM 823 CD2 LEU A 100 -6.049 2.498 2.702 1.00 0.22 C ATOM 0 H LEU A 100 -9.504 2.285 1.331 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.516 0.305 1.597 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.193 1.690 3.714 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.653 0.895 3.971 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.945 3.237 2.077 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.162 4.663 3.904 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.744 3.937 4.271 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.269 3.287 5.027 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.533 3.436 2.498 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.606 2.023 3.578 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.951 1.836 1.842 1.00 0.22 H new ATOM 835 N ALA A 101 -10.544 -0.649 2.199 1.00 0.16 N ATOM 836 CA ALA A 101 -11.349 -1.838 2.427 1.00 0.19 C ATOM 837 C ALA A 101 -11.775 -2.471 1.111 1.00 0.21 C ATOM 838 O ALA A 101 -12.602 -3.389 1.095 1.00 0.37 O ATOM 839 CB ALA A 101 -12.576 -1.505 3.263 1.00 0.23 C ATOM 0 H ALA A 101 -11.068 0.164 1.877 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.734 -2.554 2.972 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.164 -2.409 3.422 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.262 -1.103 4.226 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.182 -0.765 2.741 1.00 0.23 H new ATOM 845 N SER A 102 -11.200 -2.008 0.006 1.00 0.13 N ATOM 846 CA SER A 102 -11.623 -2.474 -1.300 1.00 0.15 C ATOM 847 C SER A 102 -10.699 -3.565 -1.814 1.00 0.17 C ATOM 848 O SER A 102 -9.543 -3.684 -1.394 1.00 0.25 O ATOM 849 CB SER A 102 -11.691 -1.316 -2.304 1.00 0.18 C ATOM 850 OG SER A 102 -10.399 -0.893 -2.709 1.00 1.40 O ATOM 0 H SER A 102 -10.449 -1.318 -0.008 1.00 0.13 H new ATOM 0 HA SER A 102 -12.624 -2.893 -1.193 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.263 -1.626 -3.179 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.224 -0.477 -1.856 1.00 0.18 H new ATOM 0 HG SER A 102 -9.768 -1.016 -1.970 1.00 1.40 H new ATOM 856 N ALA A 103 -11.242 -4.367 -2.714 1.00 0.20 N ATOM 857 CA ALA A 103 -10.509 -5.451 -3.342 1.00 0.21 C ATOM 858 C ALA A 103 -9.274 -4.954 -4.072 1.00 0.18 C ATOM 859 O ALA A 103 -8.243 -5.624 -4.078 1.00 0.19 O ATOM 860 CB ALA A 103 -11.413 -6.181 -4.308 1.00 0.27 C ATOM 0 H ALA A 103 -12.208 -4.283 -3.030 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.177 -6.128 -2.555 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.861 -6.995 -4.779 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.269 -6.587 -3.769 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.762 -5.488 -5.074 1.00 0.27 H new ATOM 866 N GLU A 104 -9.391 -3.790 -4.696 1.00 0.17 N ATOM 867 CA GLU A 104 -8.301 -3.233 -5.482 1.00 0.17 C ATOM 868 C GLU A 104 -7.026 -3.095 -4.659 1.00 0.14 C ATOM 869 O GLU A 104 -5.952 -3.474 -5.114 1.00 0.14 O ATOM 870 CB GLU A 104 -8.677 -1.876 -6.044 1.00 0.22 C ATOM 871 CG GLU A 104 -7.826 -1.467 -7.229 1.00 0.30 C ATOM 872 CD GLU A 104 -8.029 -0.023 -7.633 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.155 0.488 -7.468 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.065 0.616 -8.104 1.00 1.70 O ATOM 0 H GLU A 104 -10.232 -3.213 -4.672 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.116 -3.928 -6.301 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.725 -1.892 -6.345 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.582 -1.125 -5.259 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.775 -1.626 -6.987 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.059 -2.112 -8.076 1.00 0.30 H new ATOM 881 N PHE A 105 -7.134 -2.565 -3.443 1.00 0.13 N ATOM 882 CA PHE A 105 -5.962 -2.373 -2.606 1.00 0.13 C ATOM 883 C PHE A 105 -5.386 -3.721 -2.206 1.00 0.12 C ATOM 884 O PHE A 105 -4.177 -3.890 -2.171 1.00 0.13 O ATOM 885 CB PHE A 105 -6.310 -1.553 -1.358 1.00 0.13 C ATOM 886 CG PHE A 105 -5.100 -1.034 -0.628 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.930 -0.779 -1.318 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.132 -0.789 0.739 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.814 -0.290 -0.667 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.016 -0.301 1.394 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.859 -0.049 0.687 1.00 0.14 C ATOM 0 H PHE A 105 -8.013 -2.265 -3.022 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.216 -1.821 -3.177 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.939 -0.711 -1.649 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.898 -2.170 -0.679 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.888 -0.965 -2.381 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.037 -0.981 1.296 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.907 -0.097 -1.220 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.050 -0.117 2.458 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.988 0.337 1.196 1.00 0.14 H new ATOM 901 N CYS A 106 -6.264 -4.686 -1.945 1.00 0.13 N ATOM 902 CA CYS A 106 -5.834 -6.040 -1.612 1.00 0.15 C ATOM 903 C CYS A 106 -5.043 -6.611 -2.775 1.00 0.15 C ATOM 904 O CYS A 106 -3.977 -7.197 -2.602 1.00 0.16 O ATOM 905 CB CYS A 106 -7.052 -6.923 -1.297 1.00 0.19 C ATOM 906 SG CYS A 106 -6.649 -8.643 -0.897 1.00 0.29 S ATOM 0 H CYS A 106 -7.276 -4.555 -1.958 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.199 -6.015 -0.726 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.595 -6.486 -0.459 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.725 -6.911 -2.154 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.298 -8.727 0.352 1.00 0.29 H new ATOM 912 N ASN A 107 -5.587 -6.401 -3.963 1.00 0.14 N ATOM 913 CA ASN A 107 -4.954 -6.780 -5.221 1.00 0.16 C ATOM 914 C ASN A 107 -3.552 -6.204 -5.301 1.00 0.15 C ATOM 915 O ASN A 107 -2.568 -6.924 -5.437 1.00 0.17 O ATOM 916 CB ASN A 107 -5.770 -6.223 -6.391 1.00 0.18 C ATOM 917 CG ASN A 107 -5.969 -7.226 -7.511 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.143 -8.113 -7.719 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.062 -7.088 -8.249 1.00 0.34 N ATOM 0 H ASN A 107 -6.496 -5.955 -4.085 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.907 -7.868 -5.271 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.744 -5.899 -6.025 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.269 -5.340 -6.787 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.241 -7.731 -9.021 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.724 -6.339 -8.045 1.00 0.34 H new ATOM 926 N ILE A 108 -3.495 -4.891 -5.168 1.00 0.13 N ATOM 927 CA ILE A 108 -2.275 -4.119 -5.302 1.00 0.13 C ATOM 928 C ILE A 108 -1.269 -4.508 -4.229 1.00 0.11 C ATOM 929 O ILE A 108 -0.089 -4.722 -4.505 1.00 0.12 O ATOM 930 CB ILE A 108 -2.637 -2.625 -5.191 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.429 -2.200 -6.428 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.406 -1.758 -5.001 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.260 -0.954 -6.223 1.00 0.17 C ATOM 0 H ILE A 108 -4.314 -4.320 -4.959 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.814 -4.320 -6.269 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.256 -2.484 -4.305 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.735 -2.031 -7.252 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.085 -3.018 -6.726 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.705 -0.712 -4.927 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.891 -2.053 -4.087 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.737 -1.885 -5.852 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.792 -0.716 -7.144 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.979 -1.124 -5.422 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.609 -0.122 -5.955 1.00 0.17 H new ATOM 945 N LEU A 109 -1.770 -4.620 -3.017 1.00 0.09 N ATOM 946 CA LEU A 109 -0.976 -4.991 -1.863 1.00 0.08 C ATOM 947 C LEU A 109 -0.394 -6.381 -1.993 1.00 0.09 C ATOM 948 O LEU A 109 0.810 -6.586 -1.837 1.00 0.10 O ATOM 949 CB LEU A 109 -1.856 -4.907 -0.635 1.00 0.08 C ATOM 950 CG LEU A 109 -1.786 -3.563 0.064 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.766 -3.512 1.200 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.386 -3.308 0.568 1.00 0.07 C ATOM 0 H LEU A 109 -2.753 -4.454 -2.802 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.134 -4.304 -1.783 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.888 -5.106 -0.922 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.564 -5.689 0.066 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.046 -2.785 -0.653 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.703 -2.541 1.691 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.776 -3.660 0.817 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.532 -4.298 1.918 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.350 -2.340 1.068 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.105 -4.091 1.273 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.309 -3.309 -0.272 1.00 0.07 H new ATOM 964 N SER A 110 -1.255 -7.326 -2.279 1.00 0.10 N ATOM 965 CA SER A 110 -0.848 -8.704 -2.447 1.00 0.12 C ATOM 966 C SER A 110 0.162 -8.815 -3.587 1.00 0.12 C ATOM 967 O SER A 110 1.101 -9.611 -3.519 1.00 0.14 O ATOM 968 CB SER A 110 -2.071 -9.565 -2.710 1.00 0.15 C ATOM 969 OG SER A 110 -1.728 -10.933 -2.869 1.00 1.15 O ATOM 0 H SER A 110 -2.255 -7.165 -2.402 1.00 0.10 H new ATOM 0 HA SER A 110 -0.366 -9.059 -1.536 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.774 -9.460 -1.884 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.579 -9.211 -3.607 1.00 0.15 H new ATOM 0 HG SER A 110 -2.540 -11.457 -3.035 1.00 1.15 H new ATOM 975 N ARG A 111 -0.040 -8.003 -4.627 1.00 0.11 N ATOM 976 CA ARG A 111 0.908 -7.899 -5.723 1.00 0.12 C ATOM 977 C ARG A 111 2.281 -7.518 -5.208 1.00 0.11 C ATOM 978 O ARG A 111 3.246 -8.267 -5.340 1.00 0.13 O ATOM 979 CB ARG A 111 0.486 -6.802 -6.691 1.00 0.16 C ATOM 980 CG ARG A 111 -0.623 -7.153 -7.651 1.00 0.26 C ATOM 981 CD ARG A 111 -0.762 -6.057 -8.697 1.00 0.99 C ATOM 982 NE ARG A 111 -2.124 -5.898 -9.202 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.674 -4.706 -9.456 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.997 -3.592 -9.194 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.897 -4.627 -9.965 1.00 3.55 N ATOM 0 H ARG A 111 -0.861 -7.406 -4.727 1.00 0.11 H new ATOM 0 HA ARG A 111 0.933 -8.870 -6.218 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.175 -5.934 -6.110 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.359 -6.502 -7.271 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.410 -8.106 -8.135 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.561 -7.273 -7.109 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.431 -5.112 -8.267 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.097 -6.277 -9.532 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.681 -6.736 -9.369 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.058 -3.647 -8.799 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -2.417 -2.683 -9.388 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.422 -5.478 -10.164 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.312 -3.715 -10.157 1.00 3.55 H new ATOM 999 N VAL A 112 2.341 -6.355 -4.579 1.00 0.10 N ATOM 1000 CA VAL A 112 3.612 -5.753 -4.221 1.00 0.10 C ATOM 1001 C VAL A 112 4.322 -6.528 -3.145 1.00 0.11 C ATOM 1002 O VAL A 112 5.511 -6.741 -3.247 1.00 0.12 O ATOM 1003 CB VAL A 112 3.480 -4.284 -3.771 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.280 -3.379 -4.961 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.351 -4.096 -2.782 1.00 0.10 C ATOM 0 H VAL A 112 1.523 -5.810 -4.306 1.00 0.10 H new ATOM 0 HA VAL A 112 4.202 -5.780 -5.137 1.00 0.10 H new ATOM 0 HB VAL A 112 4.410 -4.016 -3.270 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.189 -2.347 -4.622 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.134 -3.467 -5.632 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.372 -3.669 -5.490 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.293 -3.047 -2.491 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.410 -4.397 -3.242 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.535 -4.708 -1.899 1.00 0.10 H new ATOM 1015 N LEU A 113 3.600 -6.944 -2.124 1.00 0.10 N ATOM 1016 CA LEU A 113 4.199 -7.697 -1.036 1.00 0.11 C ATOM 1017 C LEU A 113 4.911 -8.933 -1.555 1.00 0.12 C ATOM 1018 O LEU A 113 6.100 -9.131 -1.321 1.00 0.14 O ATOM 1019 CB LEU A 113 3.121 -8.084 -0.037 1.00 0.11 C ATOM 1020 CG LEU A 113 3.060 -7.164 1.160 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.692 -6.525 1.269 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.418 -7.924 2.417 1.00 0.28 C ATOM 0 H LEU A 113 2.599 -6.775 -2.023 1.00 0.10 H new ATOM 0 HA LEU A 113 4.942 -7.070 -0.542 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.153 -8.082 -0.538 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.301 -9.103 0.305 1.00 0.11 H new ATOM 0 HG LEU A 113 3.788 -6.363 1.031 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.666 -5.866 2.137 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.488 -5.947 0.368 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.936 -7.302 1.381 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.371 -7.252 3.274 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.714 -8.744 2.560 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.427 -8.325 2.325 1.00 0.28 H new ATOM 1034 N SER A 114 4.174 -9.723 -2.296 1.00 0.13 N ATOM 1035 CA SER A 114 4.692 -10.952 -2.884 1.00 0.15 C ATOM 1036 C SER A 114 5.906 -10.667 -3.759 1.00 0.15 C ATOM 1037 O SER A 114 6.922 -11.363 -3.684 1.00 0.17 O ATOM 1038 CB SER A 114 3.604 -11.642 -3.703 1.00 0.17 C ATOM 1039 OG SER A 114 2.452 -11.887 -2.913 1.00 1.00 O ATOM 0 H SER A 114 3.195 -9.539 -2.514 1.00 0.13 H new ATOM 0 HA SER A 114 5.002 -11.613 -2.075 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.338 -11.020 -4.558 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.984 -12.583 -4.100 1.00 0.17 H new ATOM 0 HG SER A 114 1.885 -11.088 -2.905 1.00 1.00 H new ATOM 1045 N ARG A 115 5.801 -9.627 -4.571 1.00 0.13 N ATOM 1046 CA ARG A 115 6.887 -9.220 -5.438 1.00 0.14 C ATOM 1047 C ARG A 115 8.050 -8.666 -4.626 1.00 0.14 C ATOM 1048 O ARG A 115 9.205 -8.876 -4.963 1.00 0.18 O ATOM 1049 CB ARG A 115 6.375 -8.165 -6.412 1.00 0.17 C ATOM 1050 CG ARG A 115 5.344 -8.699 -7.378 1.00 0.24 C ATOM 1051 CD ARG A 115 4.755 -7.586 -8.217 1.00 0.35 C ATOM 1052 NE ARG A 115 3.730 -8.082 -9.133 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.275 -7.411 -10.189 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.747 -6.203 -10.470 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.343 -7.956 -10.966 1.00 1.83 N ATOM 0 H ARG A 115 4.965 -9.047 -4.645 1.00 0.13 H new ATOM 0 HA ARG A 115 7.248 -10.088 -5.990 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.942 -7.339 -5.848 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.216 -7.761 -6.975 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.802 -9.445 -8.028 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.550 -9.202 -6.826 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.323 -6.828 -7.564 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.548 -7.101 -8.787 1.00 0.35 H new ATOM 0 HE ARG A 115 3.336 -9.005 -8.951 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.462 -5.784 -9.876 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.395 -5.694 -11.280 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.980 -8.885 -10.752 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.992 -7.445 -11.776 1.00 1.83 H new ATOM 1069 N ALA A 116 7.719 -7.958 -3.561 1.00 0.13 N ATOM 1070 CA ALA A 116 8.714 -7.291 -2.720 1.00 0.14 C ATOM 1071 C ALA A 116 9.625 -8.285 -2.014 1.00 0.16 C ATOM 1072 O ALA A 116 10.833 -8.079 -1.930 1.00 0.18 O ATOM 1073 CB ALA A 116 8.019 -6.388 -1.714 1.00 0.15 C ATOM 0 H ALA A 116 6.757 -7.825 -3.250 1.00 0.13 H new ATOM 0 HA ALA A 116 9.347 -6.685 -3.368 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.765 -5.895 -1.091 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.434 -5.636 -2.243 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.359 -6.985 -1.085 1.00 0.15 H new ATOM 1079 N ARG A 117 9.045 -9.364 -1.513 1.00 0.19 N ATOM 1080 CA ARG A 117 9.824 -10.389 -0.826 1.00 0.24 C ATOM 1081 C ARG A 117 10.771 -11.102 -1.779 1.00 0.26 C ATOM 1082 O ARG A 117 11.802 -11.632 -1.371 1.00 0.32 O ATOM 1083 CB ARG A 117 8.918 -11.405 -0.150 1.00 0.28 C ATOM 1084 CG ARG A 117 8.423 -10.946 1.200 1.00 0.61 C ATOM 1085 CD ARG A 117 6.996 -10.443 1.135 1.00 0.34 C ATOM 1086 NE ARG A 117 6.095 -11.447 0.566 1.00 1.22 N ATOM 1087 CZ ARG A 117 4.835 -11.627 0.953 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.351 -10.962 1.993 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.075 -12.507 0.317 1.00 2.33 N ATOM 0 H ARG A 117 8.044 -9.555 -1.567 1.00 0.19 H new ATOM 0 HA ARG A 117 10.416 -9.882 -0.064 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.063 -11.607 -0.795 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.458 -12.344 -0.033 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.486 -11.771 1.910 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.071 -10.154 1.574 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.658 -10.176 2.136 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.957 -9.535 0.533 1.00 0.34 H new ATOM 0 HE ARG A 117 6.457 -12.047 -0.175 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.946 -10.308 2.502 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.384 -11.105 2.284 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.457 -13.041 -0.464 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.108 -12.650 0.608 1.00 2.33 H new ATOM 1103 N SER A 118 10.405 -11.118 -3.043 1.00 0.26 N ATOM 1104 CA SER A 118 11.212 -11.753 -4.074 1.00 0.31 C ATOM 1105 C SER A 118 12.187 -10.756 -4.664 1.00 0.28 C ATOM 1106 O SER A 118 13.327 -11.081 -4.997 1.00 0.32 O ATOM 1107 CB SER A 118 10.307 -12.277 -5.179 1.00 0.37 C ATOM 1108 OG SER A 118 10.864 -13.416 -5.815 1.00 0.68 O ATOM 0 H SER A 118 9.544 -10.694 -3.388 1.00 0.26 H new ATOM 0 HA SER A 118 11.767 -12.577 -3.626 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.333 -12.533 -4.762 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.141 -11.492 -5.917 1.00 0.37 H new ATOM 0 HG SER A 118 10.257 -13.728 -6.518 1.00 0.68 H new ATOM 1114 N ARG A 119 11.724 -9.533 -4.767 1.00 0.23 N ATOM 1115 CA ARG A 119 12.459 -8.478 -5.408 1.00 0.20 C ATOM 1116 C ARG A 119 12.531 -7.251 -4.528 1.00 0.18 C ATOM 1117 O ARG A 119 11.853 -6.256 -4.775 1.00 0.17 O ATOM 1118 CB ARG A 119 11.782 -8.135 -6.716 1.00 0.25 C ATOM 1119 CG ARG A 119 12.278 -8.949 -7.881 1.00 0.33 C ATOM 1120 CD ARG A 119 13.574 -8.380 -8.439 1.00 0.33 C ATOM 1121 NE ARG A 119 14.055 -9.154 -9.584 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.065 -10.024 -9.543 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.731 -10.232 -8.414 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.413 -10.684 -10.641 1.00 1.19 N ATOM 0 H ARG A 119 10.816 -9.243 -4.403 1.00 0.23 H new ATOM 0 HA ARG A 119 13.478 -8.818 -5.591 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.708 -8.285 -6.610 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.937 -7.077 -6.930 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.437 -9.980 -7.566 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.520 -8.968 -8.664 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.417 -7.344 -8.740 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.335 -8.374 -7.658 1.00 0.33 H new ATOM 0 HE ARG A 119 13.584 -9.018 -10.478 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.472 -9.725 -7.568 1.00 1.48 H new ATOM 0 HH12 ARG A 119 16.502 -10.899 -8.392 1.00 1.48 H new ATOM 0 HH21 ARG A 119 14.908 -10.525 -11.513 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.185 -11.350 -10.613 1.00 1.19 H new ATOM 1138 N PRO A 120 13.361 -7.303 -3.495 1.00 0.19 N ATOM 1139 CA PRO A 120 13.567 -6.176 -2.593 1.00 0.19 C ATOM 1140 C PRO A 120 14.322 -5.031 -3.264 1.00 0.20 C ATOM 1141 O PRO A 120 14.462 -3.949 -2.697 1.00 0.21 O ATOM 1142 CB PRO A 120 14.379 -6.799 -1.471 1.00 0.23 C ATOM 1143 CG PRO A 120 15.134 -7.877 -2.140 1.00 0.25 C ATOM 1144 CD PRO A 120 14.149 -8.476 -3.083 1.00 0.22 C ATOM 0 HA PRO A 120 12.635 -5.721 -2.258 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.046 -6.072 -1.008 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.737 -7.190 -0.682 1.00 0.23 H new ATOM 0 HG2 PRO A 120 16.005 -7.487 -2.667 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.499 -8.613 -1.423 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.637 -8.957 -3.931 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.531 -9.233 -2.600 1.00 0.22 H new ATOM 1152 N ALA A 121 14.802 -5.274 -4.482 1.00 0.20 N ATOM 1153 CA ALA A 121 15.383 -4.207 -5.289 1.00 0.22 C ATOM 1154 C ALA A 121 14.255 -3.436 -5.937 1.00 0.19 C ATOM 1155 O ALA A 121 14.273 -2.209 -6.051 1.00 0.21 O ATOM 1156 CB ALA A 121 16.303 -4.770 -6.358 1.00 0.25 C ATOM 0 H ALA A 121 14.800 -6.192 -4.927 1.00 0.20 H new ATOM 0 HA ALA A 121 15.977 -3.553 -4.650 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.722 -3.953 -6.945 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.111 -5.329 -5.885 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.737 -5.433 -7.012 1.00 0.25 H new ATOM 1162 N LYS A 122 13.264 -4.205 -6.338 1.00 0.16 N ATOM 1163 CA LYS A 122 12.051 -3.691 -6.919 1.00 0.16 C ATOM 1164 C LYS A 122 11.126 -3.094 -5.865 1.00 0.11 C ATOM 1165 O LYS A 122 10.082 -2.549 -6.199 1.00 0.11 O ATOM 1166 CB LYS A 122 11.354 -4.818 -7.625 1.00 0.20 C ATOM 1167 CG LYS A 122 11.848 -5.004 -9.024 1.00 0.27 C ATOM 1168 CD LYS A 122 10.828 -4.500 -10.013 1.00 0.41 C ATOM 1169 CE LYS A 122 9.699 -5.489 -10.189 1.00 0.79 C ATOM 1170 NZ LYS A 122 8.729 -5.069 -11.233 1.00 1.07 N ATOM 0 H LYS A 122 13.284 -5.222 -6.266 1.00 0.16 H new ATOM 0 HA LYS A 122 12.306 -2.893 -7.616 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.501 -5.741 -7.064 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.282 -4.624 -7.644 1.00 0.20 H new ATOM 0 HG2 LYS A 122 12.789 -4.470 -9.158 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.051 -6.059 -9.207 1.00 0.27 H new ATOM 0 HD2 LYS A 122 10.428 -3.545 -9.672 1.00 0.41 H new ATOM 0 HD3 LYS A 122 11.309 -4.319 -10.974 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.112 -6.463 -10.453 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.176 -5.611 -9.240 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 7.976 -5.781 -11.314 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 8.313 -4.153 -10.971 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 9.219 -4.979 -12.146 1.00 1.07 H new ATOM 1184 N LEU A 123 11.488 -3.247 -4.592 1.00 0.10 N ATOM 1185 CA LEU A 123 10.726 -2.687 -3.482 1.00 0.08 C ATOM 1186 C LEU A 123 10.303 -1.248 -3.734 1.00 0.08 C ATOM 1187 O LEU A 123 9.150 -0.914 -3.526 1.00 0.13 O ATOM 1188 CB LEU A 123 11.551 -2.765 -2.210 1.00 0.12 C ATOM 1189 CG LEU A 123 10.860 -2.243 -0.962 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.555 -2.974 -0.723 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.771 -2.387 0.230 1.00 0.23 C ATOM 0 H LEU A 123 12.319 -3.763 -4.303 1.00 0.10 H new ATOM 0 HA LEU A 123 9.815 -3.277 -3.379 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.834 -3.804 -2.042 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.473 -2.203 -2.358 1.00 0.12 H new ATOM 0 HG LEU A 123 10.633 -1.187 -1.108 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.078 -2.583 0.176 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.894 -2.827 -1.577 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.752 -4.038 -0.595 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.268 -2.010 1.120 1.00 0.23 H new ATOM 0 HD22 LEU A 123 12.021 -3.438 0.372 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.684 -1.817 0.061 1.00 0.23 H new ATOM 1203 N TYR A 124 11.214 -0.408 -4.204 1.00 0.11 N ATOM 1204 CA TYR A 124 10.890 0.958 -4.529 1.00 0.10 C ATOM 1205 C TYR A 124 9.839 1.035 -5.615 1.00 0.11 C ATOM 1206 O TYR A 124 9.040 1.947 -5.631 1.00 0.14 O ATOM 1207 CB TYR A 124 12.153 1.688 -4.945 1.00 0.14 C ATOM 1208 CG TYR A 124 13.092 1.806 -3.794 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.565 1.980 -2.547 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.467 1.742 -3.936 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.357 2.094 -1.443 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.290 1.852 -2.835 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.730 2.031 -1.582 1.00 1.45 C ATOM 1214 OH TYR A 124 15.540 2.140 -0.473 1.00 1.89 O ATOM 0 H TYR A 124 12.189 -0.659 -4.367 1.00 0.11 H new ATOM 0 HA TYR A 124 10.471 1.438 -3.644 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.636 1.153 -5.763 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.900 2.680 -5.319 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.492 2.029 -2.432 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.899 1.605 -4.916 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.914 2.232 -0.468 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.363 1.799 -2.949 1.00 1.74 H new ATOM 0 HH TYR A 124 16.479 2.074 -0.746 1.00 1.89 H new ATOM 1224 N VAL A 125 9.800 0.050 -6.487 1.00 0.10 N ATOM 1225 CA VAL A 125 8.806 0.034 -7.546 1.00 0.12 C ATOM 1226 C VAL A 125 7.447 -0.153 -6.916 1.00 0.11 C ATOM 1227 O VAL A 125 6.471 0.490 -7.271 1.00 0.14 O ATOM 1228 CB VAL A 125 9.044 -1.128 -8.524 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.021 -1.105 -9.631 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.446 -1.080 -9.076 1.00 0.18 C ATOM 0 H VAL A 125 10.438 -0.746 -6.487 1.00 0.10 H new ATOM 0 HA VAL A 125 8.872 0.972 -8.097 1.00 0.12 H new ATOM 0 HB VAL A 125 8.931 -2.067 -7.981 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.205 -1.935 -10.314 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.022 -1.200 -9.205 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.095 -0.164 -10.176 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.594 -1.911 -9.766 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.597 -0.138 -9.604 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.162 -1.156 -8.258 1.00 0.18 H new ATOM 1240 N TYR A 126 7.448 -1.038 -5.952 1.00 0.07 N ATOM 1241 CA TYR A 126 6.273 -1.430 -5.202 1.00 0.08 C ATOM 1242 C TYR A 126 5.853 -0.330 -4.240 1.00 0.08 C ATOM 1243 O TYR A 126 4.674 -0.004 -4.125 1.00 0.10 O ATOM 1244 CB TYR A 126 6.642 -2.701 -4.455 1.00 0.11 C ATOM 1245 CG TYR A 126 7.254 -3.746 -5.355 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.885 -3.864 -6.696 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.200 -4.613 -4.862 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.459 -4.825 -7.506 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.761 -5.582 -5.663 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.392 -5.680 -6.975 1.00 0.28 C ATOM 1251 OH TYR A 126 8.938 -6.673 -7.749 1.00 0.36 O ATOM 0 H TYR A 126 8.294 -1.524 -5.654 1.00 0.07 H new ATOM 0 HA TYR A 126 5.424 -1.602 -5.864 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.344 -2.458 -3.657 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.750 -3.112 -3.982 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.142 -3.196 -7.105 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.508 -4.533 -3.830 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.177 -4.902 -8.546 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.492 -6.264 -5.255 1.00 0.27 H new ATOM 0 HH TYR A 126 8.318 -6.902 -8.472 1.00 0.36 H new ATOM 1261 N ILE A 127 6.830 0.229 -3.547 1.00 0.08 N ATOM 1262 CA ILE A 127 6.624 1.378 -2.684 1.00 0.11 C ATOM 1263 C ILE A 127 6.050 2.533 -3.484 1.00 0.12 C ATOM 1264 O ILE A 127 5.017 3.102 -3.131 1.00 0.14 O ATOM 1265 CB ILE A 127 7.966 1.799 -2.058 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.450 0.727 -1.096 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.863 3.134 -1.349 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.917 0.840 -0.788 1.00 0.13 C ATOM 0 H ILE A 127 7.794 -0.104 -3.568 1.00 0.08 H new ATOM 0 HA ILE A 127 5.922 1.110 -1.894 1.00 0.11 H new ATOM 0 HB ILE A 127 8.689 1.913 -2.866 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.882 0.795 -0.168 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.248 -0.256 -1.522 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.831 3.394 -0.921 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.563 3.902 -2.062 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.121 3.067 -0.553 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.206 0.049 -0.096 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.491 0.743 -1.710 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.120 1.810 -0.334 1.00 0.13 H new ATOM 1280 N ASN A 128 6.731 2.863 -4.575 1.00 0.12 N ATOM 1281 CA ASN A 128 6.265 3.920 -5.473 1.00 0.15 C ATOM 1282 C ASN A 128 4.898 3.558 -6.049 1.00 0.12 C ATOM 1283 O ASN A 128 4.039 4.423 -6.211 1.00 0.12 O ATOM 1284 CB ASN A 128 7.255 4.168 -6.625 1.00 0.20 C ATOM 1285 CG ASN A 128 8.612 4.739 -6.201 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.287 5.395 -6.997 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.017 4.519 -4.953 1.00 0.42 N ATOM 0 H ASN A 128 7.603 2.418 -4.861 1.00 0.12 H new ATOM 0 HA ASN A 128 6.189 4.835 -4.886 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.422 3.227 -7.150 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.796 4.853 -7.337 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.908 4.897 -4.632 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.436 3.972 -4.317 1.00 0.42 H new ATOM 1294 N GLU A 129 4.708 2.276 -6.356 1.00 0.11 N ATOM 1295 CA GLU A 129 3.434 1.766 -6.843 1.00 0.10 C ATOM 1296 C GLU A 129 2.318 2.070 -5.876 1.00 0.09 C ATOM 1297 O GLU A 129 1.373 2.772 -6.204 1.00 0.14 O ATOM 1298 CB GLU A 129 3.510 0.261 -7.019 1.00 0.14 C ATOM 1299 CG GLU A 129 2.895 -0.218 -8.304 1.00 0.26 C ATOM 1300 CD GLU A 129 1.484 0.269 -8.540 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.320 1.335 -9.168 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.539 -0.439 -8.138 1.00 1.55 O ATOM 0 H GLU A 129 5.434 1.565 -6.273 1.00 0.11 H new ATOM 0 HA GLU A 129 3.229 2.254 -7.796 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.554 -0.050 -6.986 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.007 -0.222 -6.181 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.522 0.105 -9.135 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.896 -1.308 -8.309 1.00 0.26 H new ATOM 1309 N LEU A 130 2.472 1.556 -4.674 1.00 0.07 N ATOM 1310 CA LEU A 130 1.464 1.671 -3.646 1.00 0.08 C ATOM 1311 C LEU A 130 1.215 3.135 -3.330 1.00 0.09 C ATOM 1312 O LEU A 130 0.079 3.551 -3.165 1.00 0.10 O ATOM 1313 CB LEU A 130 1.908 0.921 -2.400 1.00 0.08 C ATOM 1314 CG LEU A 130 0.776 0.322 -1.577 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.068 -0.769 -2.357 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.321 -0.220 -0.273 1.00 0.08 C ATOM 0 H LEU A 130 3.305 1.044 -4.383 1.00 0.07 H new ATOM 0 HA LEU A 130 0.533 1.230 -4.002 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.585 0.120 -2.697 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.478 1.602 -1.767 1.00 0.08 H new ATOM 0 HG LEU A 130 0.049 1.103 -1.356 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.738 -1.185 -1.752 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.346 -0.350 -3.274 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.778 -1.557 -2.606 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.507 -0.647 0.312 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.062 -0.992 -0.481 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.787 0.588 0.290 1.00 0.08 H new ATOM 1328 N CYS A 131 2.289 3.913 -3.280 1.00 0.11 N ATOM 1329 CA CYS A 131 2.184 5.349 -3.083 1.00 0.13 C ATOM 1330 C CYS A 131 1.330 5.976 -4.182 1.00 0.13 C ATOM 1331 O CYS A 131 0.437 6.777 -3.908 1.00 0.14 O ATOM 1332 CB CYS A 131 3.575 5.980 -3.083 1.00 0.18 C ATOM 1333 SG CYS A 131 3.563 7.782 -3.157 1.00 1.39 S ATOM 0 H CYS A 131 3.245 3.570 -3.374 1.00 0.11 H new ATOM 0 HA CYS A 131 1.707 5.534 -2.120 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.105 5.667 -2.183 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.137 5.595 -3.934 1.00 0.18 H new ATOM 0 HG CYS A 131 4.495 8.254 -2.384 1.00 1.39 H new ATOM 1339 N THR A 132 1.608 5.591 -5.420 1.00 0.12 N ATOM 1340 CA THR A 132 0.864 6.093 -6.569 1.00 0.14 C ATOM 1341 C THR A 132 -0.579 5.617 -6.501 1.00 0.11 C ATOM 1342 O THR A 132 -1.509 6.389 -6.700 1.00 0.15 O ATOM 1343 CB THR A 132 1.512 5.639 -7.891 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.864 6.113 -7.948 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.736 6.156 -9.093 1.00 0.24 C ATOM 0 H THR A 132 2.347 4.929 -5.656 1.00 0.12 H new ATOM 0 HA THR A 132 0.884 7.182 -6.540 1.00 0.14 H new ATOM 0 HB THR A 132 1.498 4.550 -7.923 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.448 5.494 -7.463 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.219 5.819 -10.010 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.285 5.775 -9.059 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.717 7.246 -9.073 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.736 4.338 -6.213 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.026 3.729 -5.940 1.00 0.07 C ATOM 1355 C VAL A 133 -2.835 4.530 -4.929 1.00 0.07 C ATOM 1356 O VAL A 133 -4.003 4.850 -5.151 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.800 2.311 -5.401 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.015 1.777 -4.668 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.409 1.380 -6.525 1.00 0.10 C ATOM 0 H VAL A 133 0.043 3.681 -6.161 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.593 3.706 -6.871 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.985 2.363 -4.679 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.807 0.771 -4.305 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.246 2.427 -3.824 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.867 1.749 -5.348 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.252 0.377 -6.129 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.204 1.355 -7.270 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.489 1.735 -6.988 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.202 4.854 -3.822 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.866 5.550 -2.737 1.00 0.11 C ATOM 1371 C LEU A 134 -3.103 7.008 -3.102 1.00 0.14 C ATOM 1372 O LEU A 134 -4.053 7.629 -2.641 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.020 5.438 -1.480 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.729 4.006 -1.040 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.672 3.990 0.047 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.003 3.322 -0.574 1.00 0.16 C ATOM 0 H LEU A 134 -1.219 4.645 -3.648 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.838 5.092 -2.555 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.074 5.953 -1.647 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.528 5.958 -0.668 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.343 3.451 -1.895 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.476 2.961 0.349 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.247 4.438 -0.332 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.025 4.560 0.906 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.776 2.302 -0.264 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.424 3.872 0.268 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.724 3.301 -1.391 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.231 7.541 -3.946 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.372 8.874 -4.474 1.00 0.17 C ATOM 1390 C LYS A 135 -3.492 8.904 -5.497 1.00 0.15 C ATOM 1391 O LYS A 135 -4.125 9.934 -5.732 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.055 9.288 -5.117 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.464 10.529 -4.499 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.409 11.696 -4.651 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.416 12.227 -6.077 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.050 12.591 -6.543 1.00 1.82 N ATOM 0 H LYS A 135 -1.402 7.050 -4.281 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.619 9.570 -3.672 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.341 8.469 -5.029 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.214 9.459 -6.182 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.259 10.354 -3.443 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.489 10.761 -4.974 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.417 11.388 -4.372 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.118 12.493 -3.967 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.837 11.473 -6.742 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.064 13.102 -6.135 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.100 13.451 -7.126 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.563 12.765 -5.721 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.343 11.812 -7.109 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.722 7.748 -6.087 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.732 7.580 -7.101 1.00 0.14 C ATOM 1412 C ALA A 136 -6.100 7.422 -6.459 1.00 0.16 C ATOM 1413 O ALA A 136 -7.111 7.869 -6.997 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.401 6.358 -7.951 1.00 0.17 C ATOM 0 H ALA A 136 -3.207 6.895 -5.871 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.752 8.464 -7.738 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.165 6.231 -8.718 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.430 6.497 -8.426 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.372 5.471 -7.318 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.116 6.792 -5.292 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.363 6.459 -4.618 1.00 0.23 C ATOM 1422 C HIS A 137 -7.357 7.004 -3.201 1.00 0.24 C ATOM 1423 O HIS A 137 -7.736 6.323 -2.247 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.567 4.945 -4.610 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.311 4.309 -5.942 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.892 4.742 -7.105 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.493 3.293 -6.293 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.441 4.025 -8.112 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.592 3.128 -7.651 1.00 0.34 N ATOM 0 H HIS A 137 -5.276 6.501 -4.791 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.190 6.918 -5.159 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.904 4.499 -3.868 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.588 4.724 -4.299 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.873 2.715 -5.625 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.721 4.151 -9.148 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.095 2.432 -8.207 1.00 0.34 H new