USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=16 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 HE2:sc= -0.219 K(o=-0.22,f=-1.3) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.784 K(o=-0.78,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 66:sc= -0.62 USER MOD Single : A 75 LYS NZ :NH3+ 143:sc= 1.13 (180deg=0.914) USER MOD Single : A 76 MET CE :methyl 173:sc= -4.04! (180deg=-4.49!) USER MOD Single : A 77 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.4) 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= -0.0317 K(o=-0.032,f=-7.4!) USER MOD Single : A 92 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.8!) USER MOD Single : A 93 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.33) USER MOD Single : A 96 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-8.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 46:sc= 1.14 USER MOD Single : A 106 CYS SG : rot 77:sc= 0.923 USER MOD Single : A 107 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.51) USER MOD Single : A 110 SER OG : rot 92:sc= 1.23 USER MOD Single : A 114 SER OG : rot 109: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 -17:sc= -2.64! USER MOD Single : A 128 ASN : amide:sc= 1.03 K(o=1,f=-0.59) USER MOD Single : A 131 CYS SG : rot 141:sc= 0.106! USER MOD Single : A 132 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.399 -4.398 4.664 1.00 0.29 N ATOM 139 CA LYS A 60 -9.603 -3.348 5.278 1.00 0.29 C ATOM 140 C LYS A 60 -8.588 -3.933 6.248 1.00 0.25 C ATOM 141 O LYS A 60 -7.421 -3.598 6.188 1.00 0.26 O ATOM 142 CB LYS A 60 -10.494 -2.270 5.921 1.00 0.37 C ATOM 143 CG LYS A 60 -10.860 -2.454 7.376 1.00 0.57 C ATOM 144 CD LYS A 60 -9.754 -1.951 8.284 1.00 0.43 C ATOM 145 CE LYS A 60 -10.165 -1.971 9.744 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.224 -1.188 10.587 1.00 1.62 N ATOM 0 HA LYS A 60 -9.035 -2.845 4.495 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -9.989 -1.309 5.819 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.418 -2.208 5.346 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -11.784 -1.919 7.592 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.048 -3.509 7.577 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -8.865 -2.568 8.149 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.483 -0.935 7.997 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.171 -1.563 9.845 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.201 -3.001 10.098 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -9.535 -1.223 11.579 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.269 -1.593 10.509 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.209 -0.200 10.264 1.00 1.62 H new ATOM 160 N LEU A 61 -9.025 -4.831 7.117 1.00 0.25 N ATOM 161 CA LEU A 61 -8.122 -5.490 8.038 1.00 0.25 C ATOM 162 C LEU A 61 -6.972 -6.140 7.297 1.00 0.26 C ATOM 163 O LEU A 61 -5.816 -5.994 7.684 1.00 0.30 O ATOM 164 CB LEU A 61 -8.859 -6.538 8.853 1.00 0.30 C ATOM 165 CG LEU A 61 -8.841 -6.280 10.352 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.433 -7.456 11.109 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.421 -5.979 10.820 1.00 0.63 C ATOM 0 H LEU A 61 -10.000 -5.118 7.201 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.723 -4.731 8.710 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.894 -6.585 8.515 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.415 -7.514 8.657 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.460 -5.408 10.562 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.410 -7.249 12.179 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.464 -7.611 10.792 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.851 -8.353 10.900 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.423 -5.796 11.895 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.777 -6.830 10.598 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.047 -5.096 10.303 1.00 0.63 H new ATOM 179 N GLU A 62 -7.302 -6.850 6.230 1.00 0.25 N ATOM 180 CA GLU A 62 -6.320 -7.479 5.414 1.00 0.29 C ATOM 181 C GLU A 62 -5.369 -6.453 4.828 1.00 0.23 C ATOM 182 O GLU A 62 -4.161 -6.619 4.903 1.00 0.20 O ATOM 183 CB GLU A 62 -7.002 -8.245 4.302 1.00 0.39 C ATOM 184 CG GLU A 62 -6.217 -9.458 3.928 1.00 0.63 C ATOM 185 CD GLU A 62 -6.679 -10.121 2.649 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.754 -10.755 2.659 1.00 1.98 O ATOM 187 OE2 GLU A 62 -5.986 -9.994 1.617 1.00 2.20 O ATOM 0 H GLU A 62 -8.263 -6.996 5.920 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.742 -8.167 6.031 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.003 -8.539 4.619 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.119 -7.601 3.431 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.168 -9.181 3.823 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.276 -10.181 4.742 1.00 0.63 H new ATOM 194 N ASN A 63 -5.920 -5.385 4.271 1.00 0.22 N ATOM 195 CA ASN A 63 -5.128 -4.402 3.558 1.00 0.19 C ATOM 196 C ASN A 63 -4.305 -3.563 4.512 1.00 0.15 C ATOM 197 O ASN A 63 -3.134 -3.305 4.257 1.00 0.16 O ATOM 198 CB ASN A 63 -6.033 -3.520 2.710 1.00 0.21 C ATOM 199 CG ASN A 63 -6.777 -4.318 1.666 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.325 -5.377 1.249 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.920 -3.814 1.237 1.00 0.27 N ATOM 0 H ASN A 63 -6.919 -5.179 4.301 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.435 -4.931 2.903 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.748 -3.008 3.354 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.436 -2.750 2.221 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.463 -4.311 0.531 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.259 -2.928 1.612 1.00 0.27 H new ATOM 208 N GLU A 64 -4.915 -3.143 5.607 1.00 0.15 N ATOM 209 CA GLU A 64 -4.216 -2.513 6.683 1.00 0.16 C ATOM 210 C GLU A 64 -3.014 -3.352 7.091 1.00 0.14 C ATOM 211 O GLU A 64 -1.883 -2.876 7.117 1.00 0.17 O ATOM 212 CB GLU A 64 -5.182 -2.373 7.827 1.00 0.21 C ATOM 213 CG GLU A 64 -6.038 -1.127 7.738 1.00 0.30 C ATOM 214 CD GLU A 64 -6.562 -0.752 6.363 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.728 -0.491 5.471 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.786 -0.783 6.153 1.00 1.75 O ATOM 0 H GLU A 64 -5.919 -3.237 5.763 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.844 -1.534 6.382 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.830 -3.249 7.856 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.625 -2.357 8.764 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.892 -1.253 8.404 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.457 -0.288 8.120 1.00 0.30 H new ATOM 223 N LYS A 65 -3.285 -4.623 7.359 1.00 0.13 N ATOM 224 CA LYS A 65 -2.295 -5.561 7.774 1.00 0.14 C ATOM 225 C LYS A 65 -1.239 -5.793 6.690 1.00 0.12 C ATOM 226 O LYS A 65 -0.044 -5.775 6.973 1.00 0.14 O ATOM 227 CB LYS A 65 -3.014 -6.830 8.122 1.00 0.20 C ATOM 228 CG LYS A 65 -2.108 -7.982 8.294 1.00 0.44 C ATOM 229 CD LYS A 65 -1.149 -7.785 9.453 1.00 0.86 C ATOM 230 CE LYS A 65 0.043 -8.708 9.333 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.325 -10.136 9.503 1.00 1.93 N ATOM 0 H LYS A 65 -4.222 -5.021 7.287 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.750 -5.179 8.637 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.579 -6.680 9.042 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.736 -7.058 7.338 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.697 -8.884 8.460 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.540 -8.137 7.376 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.810 -6.749 9.477 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.666 -7.974 10.394 1.00 0.86 H new ATOM 0 HE2 LYS A 65 0.509 -8.570 8.357 1.00 1.32 H new ATOM 0 HE3 LYS A 65 0.786 -8.436 10.082 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.526 -10.727 9.412 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.745 -10.277 10.444 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.014 -10.406 8.772 1.00 1.93 H new ATOM 245 N LEU A 66 -1.682 -6.012 5.455 1.00 0.11 N ATOM 246 CA LEU A 66 -0.769 -6.200 4.330 1.00 0.10 C ATOM 247 C LEU A 66 0.096 -4.969 4.142 1.00 0.08 C ATOM 248 O LEU A 66 1.286 -5.067 3.853 1.00 0.08 O ATOM 249 CB LEU A 66 -1.545 -6.474 3.045 1.00 0.10 C ATOM 250 CG LEU A 66 -2.265 -7.816 2.988 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.159 -7.881 1.762 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.258 -8.948 2.973 1.00 0.17 C ATOM 0 H LEU A 66 -2.670 -6.064 5.207 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.134 -7.058 4.551 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.280 -5.681 2.909 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.854 -6.416 2.204 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.889 -7.919 3.876 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.667 -8.845 1.733 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.899 -7.082 1.808 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.553 -7.763 0.863 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.784 -9.902 2.932 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.614 -8.851 2.099 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.651 -8.907 3.877 1.00 0.17 H new ATOM 264 N PHE A 67 -0.514 -3.809 4.304 1.00 0.07 N ATOM 265 CA PHE A 67 0.203 -2.561 4.255 1.00 0.06 C ATOM 266 C PHE A 67 1.308 -2.548 5.307 1.00 0.06 C ATOM 267 O PHE A 67 2.437 -2.173 5.017 1.00 0.07 O ATOM 268 CB PHE A 67 -0.755 -1.392 4.468 1.00 0.08 C ATOM 269 CG PHE A 67 -0.056 -0.080 4.493 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.779 0.256 3.455 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.214 0.801 5.548 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.461 1.457 3.457 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.460 2.005 5.558 1.00 0.12 C ATOM 274 CZ PHE A 67 1.298 2.329 4.509 1.00 0.09 C ATOM 0 H PHE A 67 -1.515 -3.712 4.472 1.00 0.07 H new ATOM 0 HA PHE A 67 0.660 -2.456 3.271 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.500 -1.388 3.673 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.291 -1.532 5.407 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.904 -0.427 2.628 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.868 0.545 6.368 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.118 1.710 2.638 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.333 2.691 6.382 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.827 3.270 4.514 1.00 0.09 H new ATOM 284 N GLU A 68 0.972 -2.968 6.522 1.00 0.08 N ATOM 285 CA GLU A 68 1.963 -3.089 7.589 1.00 0.09 C ATOM 286 C GLU A 68 3.020 -4.102 7.212 1.00 0.10 C ATOM 287 O GLU A 68 4.199 -3.871 7.426 1.00 0.12 O ATOM 288 CB GLU A 68 1.323 -3.513 8.909 1.00 0.14 C ATOM 289 CG GLU A 68 0.092 -2.718 9.256 1.00 0.21 C ATOM 290 CD GLU A 68 -0.439 -3.031 10.636 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.069 -4.097 10.812 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.237 -2.213 11.555 1.00 1.19 O ATOM 0 H GLU A 68 0.024 -3.230 6.794 1.00 0.08 H new ATOM 0 HA GLU A 68 2.415 -2.106 7.720 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.061 -4.570 8.855 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.054 -3.406 9.710 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.323 -1.655 9.193 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.685 -2.920 8.519 1.00 0.21 H new ATOM 299 N GLU A 69 2.592 -5.211 6.632 1.00 0.10 N ATOM 300 CA GLU A 69 3.513 -6.249 6.182 1.00 0.12 C ATOM 301 C GLU A 69 4.544 -5.664 5.236 1.00 0.11 C ATOM 302 O GLU A 69 5.727 -6.002 5.284 1.00 0.14 O ATOM 303 CB GLU A 69 2.749 -7.339 5.450 1.00 0.15 C ATOM 304 CG GLU A 69 1.960 -8.265 6.340 1.00 0.25 C ATOM 305 CD GLU A 69 2.840 -9.277 7.036 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.409 -10.151 6.347 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.972 -9.206 8.272 1.00 1.21 O ATOM 0 H GLU A 69 1.608 -5.419 6.460 1.00 0.10 H new ATOM 0 HA GLU A 69 4.012 -6.666 7.057 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.067 -6.871 4.740 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.456 -7.931 4.869 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.423 -7.679 7.086 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.210 -8.787 5.745 1.00 0.25 H new ATOM 314 N PHE A 70 4.076 -4.775 4.385 1.00 0.09 N ATOM 315 CA PHE A 70 4.901 -4.155 3.397 1.00 0.09 C ATOM 316 C PHE A 70 5.708 -3.033 4.047 1.00 0.08 C ATOM 317 O PHE A 70 6.879 -2.832 3.744 1.00 0.10 O ATOM 318 CB PHE A 70 4.004 -3.639 2.280 1.00 0.09 C ATOM 319 CG PHE A 70 4.748 -3.050 1.138 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.174 -1.750 1.214 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.025 -3.787 0.000 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.871 -1.175 0.182 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.723 -3.220 -1.047 1.00 0.13 C ATOM 324 CZ PHE A 70 6.150 -1.908 -0.955 1.00 0.13 C ATOM 0 H PHE A 70 3.104 -4.467 4.368 1.00 0.09 H new ATOM 0 HA PHE A 70 5.610 -4.865 2.971 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.386 -4.459 1.915 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.328 -2.887 2.687 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.958 -1.170 2.099 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.693 -4.812 -0.069 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.201 -0.150 0.258 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.935 -3.798 -1.934 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.699 -1.458 -1.769 1.00 0.13 H new ATOM 334 N LEU A 71 5.056 -2.300 4.942 1.00 0.07 N ATOM 335 CA LEU A 71 5.690 -1.243 5.700 1.00 0.08 C ATOM 336 C LEU A 71 6.850 -1.753 6.552 1.00 0.08 C ATOM 337 O LEU A 71 7.965 -1.240 6.461 1.00 0.09 O ATOM 338 CB LEU A 71 4.662 -0.548 6.579 1.00 0.09 C ATOM 339 CG LEU A 71 4.084 0.722 5.975 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.514 1.625 7.038 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.151 1.446 5.213 1.00 0.10 C ATOM 0 H LEU A 71 4.068 -2.428 5.159 1.00 0.07 H new ATOM 0 HA LEU A 71 6.104 -0.533 4.984 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.848 -1.242 6.785 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.124 -0.305 7.536 1.00 0.09 H new ATOM 0 HG LEU A 71 3.274 0.441 5.302 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.109 2.524 6.573 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.720 1.103 7.571 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.301 1.903 7.740 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.735 2.356 4.781 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.968 1.705 5.887 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.528 0.805 4.416 1.00 0.10 H new ATOM 353 N GLU A 72 6.570 -2.740 7.393 1.00 0.08 N ATOM 354 CA GLU A 72 7.604 -3.386 8.207 1.00 0.11 C ATOM 355 C GLU A 72 8.722 -3.879 7.313 1.00 0.09 C ATOM 356 O GLU A 72 9.902 -3.734 7.623 1.00 0.12 O ATOM 357 CB GLU A 72 7.033 -4.563 8.986 1.00 0.19 C ATOM 358 CG GLU A 72 5.828 -4.189 9.805 1.00 0.26 C ATOM 359 CD GLU A 72 6.138 -3.181 10.887 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.955 -3.492 11.779 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.590 -2.068 10.847 1.00 1.13 O ATOM 0 H GLU A 72 5.632 -3.116 7.533 1.00 0.08 H new ATOM 0 HA GLU A 72 7.986 -2.651 8.915 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.762 -5.357 8.290 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.803 -4.966 9.644 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.060 -3.782 9.147 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.413 -5.088 10.262 1.00 0.26 H new ATOM 368 N LEU A 73 8.319 -4.473 6.202 1.00 0.10 N ATOM 369 CA LEU A 73 9.247 -4.889 5.162 1.00 0.11 C ATOM 370 C LEU A 73 10.127 -3.730 4.745 1.00 0.10 C ATOM 371 O LEU A 73 11.346 -3.855 4.729 1.00 0.12 O ATOM 372 CB LEU A 73 8.477 -5.401 3.947 1.00 0.14 C ATOM 373 CG LEU A 73 9.331 -5.803 2.747 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.989 -7.147 2.980 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.491 -5.832 1.486 1.00 0.46 C ATOM 0 H LEU A 73 7.342 -4.680 5.995 1.00 0.10 H new ATOM 0 HA LEU A 73 9.873 -5.688 5.559 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.883 -6.262 4.252 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.778 -4.627 3.630 1.00 0.14 H new ATOM 0 HG LEU A 73 10.117 -5.058 2.622 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.592 -7.412 2.112 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.627 -7.092 3.862 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.222 -7.906 3.134 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.115 -6.120 0.640 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.683 -6.554 1.604 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.070 -4.843 1.306 1.00 0.46 H new ATOM 387 N CYS A 74 9.512 -2.600 4.430 1.00 0.09 N ATOM 388 CA CYS A 74 10.273 -1.430 4.012 1.00 0.10 C ATOM 389 C CYS A 74 11.248 -1.016 5.104 1.00 0.11 C ATOM 390 O CYS A 74 12.402 -0.740 4.824 1.00 0.14 O ATOM 391 CB CYS A 74 9.358 -0.265 3.648 1.00 0.10 C ATOM 392 SG CYS A 74 8.238 -0.630 2.286 1.00 0.11 S ATOM 0 H CYS A 74 8.501 -2.467 4.455 1.00 0.09 H new ATOM 0 HA CYS A 74 10.835 -1.702 3.118 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.773 0.015 4.524 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.969 0.598 3.384 1.00 0.10 H new ATOM 0 HG CYS A 74 7.401 -1.556 2.649 1.00 0.11 H new ATOM 398 N LYS A 75 10.808 -1.045 6.359 1.00 0.11 N ATOM 399 CA LYS A 75 11.681 -0.708 7.482 1.00 0.12 C ATOM 400 C LYS A 75 12.913 -1.615 7.496 1.00 0.13 C ATOM 401 O LYS A 75 13.942 -1.280 8.082 1.00 0.16 O ATOM 402 CB LYS A 75 10.923 -0.867 8.796 1.00 0.13 C ATOM 403 CG LYS A 75 9.709 0.014 8.925 1.00 0.18 C ATOM 404 CD LYS A 75 8.921 -0.375 10.152 1.00 0.20 C ATOM 405 CE LYS A 75 7.681 0.470 10.298 1.00 0.30 C ATOM 406 NZ LYS A 75 6.896 0.095 11.502 1.00 0.32 N ATOM 0 H LYS A 75 9.856 -1.297 6.624 1.00 0.11 H new ATOM 0 HA LYS A 75 12.003 0.327 7.368 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.614 -1.907 8.900 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.602 -0.652 9.621 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.012 1.059 8.993 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.085 -0.079 8.036 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.642 -1.427 10.089 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.546 -0.264 11.038 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.963 1.521 10.361 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.059 0.359 9.410 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.489 0.950 11.931 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.130 -0.554 11.229 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.519 -0.375 12.190 1.00 0.32 H new ATOM 420 N MET A 76 12.786 -2.763 6.846 1.00 0.12 N ATOM 421 CA MET A 76 13.857 -3.739 6.775 1.00 0.13 C ATOM 422 C MET A 76 14.790 -3.475 5.590 1.00 0.14 C ATOM 423 O MET A 76 15.997 -3.695 5.694 1.00 0.16 O ATOM 424 CB MET A 76 13.263 -5.150 6.686 1.00 0.14 C ATOM 425 CG MET A 76 12.470 -5.538 7.919 1.00 0.15 C ATOM 426 SD MET A 76 12.094 -7.301 8.000 1.00 0.21 S ATOM 427 CE MET A 76 10.998 -7.481 6.597 1.00 0.40 C ATOM 0 H MET A 76 11.937 -3.041 6.354 1.00 0.12 H new ATOM 0 HA MET A 76 14.455 -3.652 7.682 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.616 -5.211 5.811 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.069 -5.869 6.538 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.031 -5.252 8.808 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.538 -4.974 7.935 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.778 -8.537 6.440 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.070 -6.942 6.789 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.477 -7.074 5.707 1.00 0.40 H new ATOM 437 N GLN A 77 14.245 -3.006 4.468 1.00 0.14 N ATOM 438 CA GLN A 77 15.041 -2.824 3.258 1.00 0.15 C ATOM 439 C GLN A 77 15.317 -1.354 2.916 1.00 0.16 C ATOM 440 O GLN A 77 16.184 -1.066 2.088 1.00 0.22 O ATOM 441 CB GLN A 77 14.353 -3.502 2.073 1.00 0.19 C ATOM 442 CG GLN A 77 12.973 -4.054 2.377 1.00 0.21 C ATOM 443 CD GLN A 77 12.812 -5.482 1.917 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.411 -5.741 0.786 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.105 -6.418 2.805 1.00 0.25 N ATOM 0 H GLN A 77 13.263 -2.747 4.373 1.00 0.14 H new ATOM 0 HA GLN A 77 16.008 -3.286 3.458 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.271 -2.784 1.257 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.986 -4.316 1.719 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.790 -3.998 3.450 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.221 -3.432 1.892 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.435 -6.155 3.733 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.001 -7.403 2.561 1.00 0.25 H new ATOM 454 N THR A 78 14.613 -0.426 3.544 1.00 0.17 N ATOM 455 CA THR A 78 14.777 0.985 3.218 1.00 0.22 C ATOM 456 C THR A 78 15.436 1.728 4.365 1.00 0.30 C ATOM 457 O THR A 78 14.953 2.771 4.795 1.00 0.32 O ATOM 458 CB THR A 78 13.444 1.699 2.866 1.00 0.17 C ATOM 459 OG1 THR A 78 12.563 1.725 3.992 1.00 0.14 O ATOM 460 CG2 THR A 78 12.737 1.036 1.697 1.00 0.22 C ATOM 0 H THR A 78 13.929 -0.619 4.275 1.00 0.17 H new ATOM 0 HA THR A 78 15.410 1.007 2.331 1.00 0.22 H new ATOM 0 HB THR A 78 13.703 2.719 2.582 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.680 0.906 4.518 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.809 1.567 1.484 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.381 1.065 0.818 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.512 -0.001 1.948 1.00 0.22 H new ATOM 468 N ALA A 79 16.525 1.181 4.881 1.00 0.38 N ATOM 469 CA ALA A 79 17.309 1.860 5.905 1.00 0.50 C ATOM 470 C ALA A 79 17.692 3.262 5.465 1.00 0.52 C ATOM 471 O ALA A 79 17.584 4.223 6.225 1.00 0.55 O ATOM 472 CB ALA A 79 18.560 1.061 6.189 1.00 0.67 C ATOM 0 H ALA A 79 16.888 0.268 4.608 1.00 0.38 H new ATOM 0 HA ALA A 79 16.702 1.940 6.806 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.149 1.566 6.955 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.285 0.067 6.540 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.150 0.973 5.277 1.00 0.67 H new ATOM 478 N ASP A 80 18.132 3.364 4.223 1.00 0.53 N ATOM 479 CA ASP A 80 18.562 4.612 3.651 1.00 0.57 C ATOM 480 C ASP A 80 17.368 5.466 3.246 1.00 0.52 C ATOM 481 O ASP A 80 17.503 6.654 2.950 1.00 0.57 O ATOM 482 CB ASP A 80 19.422 4.312 2.435 1.00 0.65 C ATOM 483 CG ASP A 80 18.737 3.386 1.448 1.00 1.21 C ATOM 484 OD1 ASP A 80 18.561 2.188 1.763 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.375 3.850 0.354 1.00 1.46 O ATOM 0 H ASP A 80 18.198 2.572 3.584 1.00 0.53 H new ATOM 0 HA ASP A 80 19.135 5.170 4.392 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.675 5.247 1.935 1.00 0.65 H new ATOM 0 HB3 ASP A 80 20.359 3.861 2.760 1.00 0.65 H new ATOM 490 N HIS A 81 16.201 4.847 3.235 1.00 0.43 N ATOM 491 CA HIS A 81 14.963 5.528 2.882 1.00 0.38 C ATOM 492 C HIS A 81 13.918 5.342 3.974 1.00 0.29 C ATOM 493 O HIS A 81 12.839 4.806 3.727 1.00 0.23 O ATOM 494 CB HIS A 81 14.427 4.986 1.551 1.00 0.41 C ATOM 495 CG HIS A 81 15.336 5.217 0.376 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.429 4.342 -0.683 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.158 6.251 0.074 1.00 0.70 C ATOM 498 CE1 HIS A 81 16.256 4.832 -1.585 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.712 5.992 -1.157 1.00 0.86 N ATOM 0 H HIS A 81 16.082 3.861 3.469 1.00 0.43 H new ATOM 0 HA HIS A 81 15.173 6.593 2.778 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.250 3.915 1.653 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.462 5.450 1.346 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.935 3.453 -0.758 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.344 7.120 0.688 1.00 0.70 H new ATOM 0 HE1 HIS A 81 16.517 4.360 -2.521 1.00 1.08 H new ATOM 508 N PRO A 82 14.208 5.800 5.198 1.00 0.32 N ATOM 509 CA PRO A 82 13.321 5.592 6.336 1.00 0.29 C ATOM 510 C PRO A 82 12.056 6.426 6.225 1.00 0.26 C ATOM 511 O PRO A 82 11.064 6.156 6.890 1.00 0.29 O ATOM 512 CB PRO A 82 14.158 6.042 7.525 1.00 0.38 C ATOM 513 CG PRO A 82 15.135 7.010 6.969 1.00 0.44 C ATOM 514 CD PRO A 82 15.403 6.578 5.565 1.00 0.41 C ATOM 0 HA PRO A 82 12.980 4.559 6.412 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.537 6.506 8.291 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.663 5.197 7.993 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.735 8.024 6.994 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.054 7.015 7.556 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.541 7.433 4.904 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.308 5.974 5.499 1.00 0.41 H new ATOM 522 N GLU A 83 12.107 7.431 5.364 1.00 0.23 N ATOM 523 CA GLU A 83 10.979 8.320 5.124 1.00 0.21 C ATOM 524 C GLU A 83 9.917 7.623 4.289 1.00 0.17 C ATOM 525 O GLU A 83 8.775 8.067 4.214 1.00 0.18 O ATOM 526 CB GLU A 83 11.468 9.555 4.396 1.00 0.28 C ATOM 527 CG GLU A 83 11.598 9.332 2.908 1.00 0.46 C ATOM 528 CD GLU A 83 12.344 10.445 2.215 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.591 10.421 2.232 1.00 0.95 O ATOM 530 OE2 GLU A 83 11.692 11.356 1.664 1.00 1.01 O ATOM 0 H GLU A 83 12.934 7.654 4.810 1.00 0.23 H new ATOM 0 HA GLU A 83 10.538 8.600 6.081 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.777 10.378 4.578 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.435 9.854 4.802 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.114 8.389 2.730 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.604 9.239 2.471 1.00 0.46 H new ATOM 537 N VAL A 84 10.315 6.528 3.669 1.00 0.15 N ATOM 538 CA VAL A 84 9.461 5.793 2.769 1.00 0.14 C ATOM 539 C VAL A 84 8.263 5.213 3.498 1.00 0.11 C ATOM 540 O VAL A 84 7.157 5.228 2.980 1.00 0.11 O ATOM 541 CB VAL A 84 10.279 4.704 2.052 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.486 3.451 1.807 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.825 5.244 0.753 1.00 0.21 C ATOM 0 H VAL A 84 11.246 6.125 3.779 1.00 0.15 H new ATOM 0 HA VAL A 84 9.067 6.476 2.017 1.00 0.14 H new ATOM 0 HB VAL A 84 11.103 4.430 2.711 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.112 2.718 1.299 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.148 3.042 2.759 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.622 3.683 1.185 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.403 4.468 0.251 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.000 5.554 0.112 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.468 6.101 0.957 1.00 0.21 H new ATOM 553 N VAL A 85 8.485 4.721 4.700 1.00 0.09 N ATOM 554 CA VAL A 85 7.406 4.213 5.514 1.00 0.09 C ATOM 555 C VAL A 85 6.403 5.308 5.882 1.00 0.10 C ATOM 556 O VAL A 85 5.222 5.152 5.634 1.00 0.10 O ATOM 557 CB VAL A 85 7.954 3.529 6.763 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.847 3.256 7.755 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.680 2.262 6.353 1.00 0.11 C ATOM 0 H VAL A 85 9.407 4.663 5.133 1.00 0.09 H new ATOM 0 HA VAL A 85 6.867 3.473 4.922 1.00 0.09 H new ATOM 0 HB VAL A 85 8.664 4.187 7.264 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.261 2.768 8.637 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.379 4.197 8.046 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.101 2.606 7.298 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.075 1.766 7.240 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.986 1.594 5.843 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.501 2.514 5.682 1.00 0.11 H new ATOM 569 N PRO A 86 6.851 6.416 6.487 1.00 0.12 N ATOM 570 CA PRO A 86 6.004 7.586 6.710 1.00 0.14 C ATOM 571 C PRO A 86 5.304 8.056 5.431 1.00 0.14 C ATOM 572 O PRO A 86 4.152 8.463 5.469 1.00 0.18 O ATOM 573 CB PRO A 86 6.952 8.671 7.207 1.00 0.18 C ATOM 574 CG PRO A 86 8.277 8.025 7.429 1.00 0.18 C ATOM 575 CD PRO A 86 8.182 6.576 7.058 1.00 0.14 C ATOM 0 HA PRO A 86 5.208 7.353 7.417 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.033 9.476 6.477 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.580 9.115 8.130 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.041 8.518 6.828 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.576 8.128 8.472 1.00 0.18 H new ATOM 0 HD2 PRO A 86 8.955 6.302 6.340 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.316 5.936 7.930 1.00 0.14 H new ATOM 583 N PHE A 87 6.008 7.980 4.304 1.00 0.13 N ATOM 584 CA PHE A 87 5.465 8.361 2.998 1.00 0.14 C ATOM 585 C PHE A 87 4.413 7.348 2.562 1.00 0.12 C ATOM 586 O PHE A 87 3.384 7.696 1.975 1.00 0.12 O ATOM 587 CB PHE A 87 6.607 8.405 1.974 1.00 0.18 C ATOM 588 CG PHE A 87 6.246 8.953 0.618 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.987 9.457 0.364 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.184 8.963 -0.399 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.663 9.963 -0.876 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.869 9.467 -1.645 1.00 1.01 C ATOM 593 CZ PHE A 87 5.606 9.967 -1.885 1.00 0.69 C ATOM 0 H PHE A 87 6.973 7.652 4.268 1.00 0.13 H new ATOM 0 HA PHE A 87 4.999 9.344 3.066 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.417 9.008 2.386 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.995 7.394 1.846 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.245 9.455 1.148 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.174 8.572 -0.216 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.674 10.356 -1.059 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.610 9.470 -2.431 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.355 10.360 -2.859 1.00 0.69 H new ATOM 603 N LEU A 88 4.660 6.110 2.925 1.00 0.10 N ATOM 604 CA LEU A 88 3.789 5.017 2.588 1.00 0.09 C ATOM 605 C LEU A 88 2.564 5.134 3.443 1.00 0.08 C ATOM 606 O LEU A 88 1.427 5.094 2.970 1.00 0.09 O ATOM 607 CB LEU A 88 4.489 3.702 2.905 1.00 0.09 C ATOM 608 CG LEU A 88 5.024 2.932 1.719 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.860 1.770 2.197 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.884 2.430 0.871 1.00 0.10 C ATOM 0 H LEU A 88 5.479 5.835 3.467 1.00 0.10 H new ATOM 0 HA LEU A 88 3.530 5.043 1.530 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.318 3.909 3.582 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.790 3.062 3.443 1.00 0.09 H new ATOM 0 HG LEU A 88 5.646 3.595 1.118 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.243 1.219 1.338 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.695 2.142 2.790 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.247 1.108 2.809 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.280 1.877 0.019 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.249 1.774 1.466 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.297 3.276 0.513 1.00 0.10 H new ATOM 622 N TYR A 89 2.842 5.307 4.722 1.00 0.08 N ATOM 623 CA TYR A 89 1.840 5.458 5.726 1.00 0.09 C ATOM 624 C TYR A 89 0.939 6.620 5.373 1.00 0.09 C ATOM 625 O TYR A 89 -0.267 6.494 5.351 1.00 0.11 O ATOM 626 CB TYR A 89 2.519 5.733 7.066 1.00 0.10 C ATOM 627 CG TYR A 89 2.186 4.725 8.113 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.896 4.282 8.235 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.149 4.217 8.968 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.546 3.356 9.176 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.820 3.284 9.922 1.00 0.20 C ATOM 632 CZ TYR A 89 1.513 2.849 10.025 1.00 0.22 C ATOM 633 OH TYR A 89 1.173 1.916 10.976 1.00 0.27 O ATOM 0 H TYR A 89 3.794 5.345 5.085 1.00 0.08 H new ATOM 0 HA TYR A 89 1.244 4.547 5.791 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.599 5.753 6.921 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.226 6.722 7.418 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.138 4.674 7.572 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.170 4.558 8.884 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.478 3.022 9.257 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.577 2.894 10.586 1.00 0.20 H new ATOM 0 HH TYR A 89 1.970 1.664 11.487 1.00 0.27 H new ATOM 643 N ASN A 90 1.573 7.736 5.074 1.00 0.09 N ATOM 644 CA ASN A 90 0.913 8.954 4.645 1.00 0.09 C ATOM 645 C ASN A 90 -0.055 8.698 3.521 1.00 0.09 C ATOM 646 O ASN A 90 -1.245 8.958 3.655 1.00 0.10 O ATOM 647 CB ASN A 90 2.008 9.923 4.219 1.00 0.11 C ATOM 648 CG ASN A 90 1.610 10.907 3.152 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.998 11.928 3.431 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.007 10.622 1.921 1.00 0.40 N ATOM 0 H ASN A 90 2.588 7.824 5.124 1.00 0.09 H new ATOM 0 HA ASN A 90 0.321 9.371 5.460 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.343 10.477 5.096 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.862 9.348 3.861 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.804 11.267 1.158 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.515 9.757 1.736 1.00 0.40 H new ATOM 657 N ARG A 91 0.465 8.173 2.433 1.00 0.08 N ATOM 658 CA ARG A 91 -0.343 7.867 1.263 1.00 0.10 C ATOM 659 C ARG A 91 -1.552 7.028 1.644 1.00 0.09 C ATOM 660 O ARG A 91 -2.666 7.299 1.211 1.00 0.11 O ATOM 661 CB ARG A 91 0.488 7.101 0.229 1.00 0.13 C ATOM 662 CG ARG A 91 1.393 7.967 -0.619 1.00 0.16 C ATOM 663 CD ARG A 91 0.585 8.891 -1.505 1.00 0.29 C ATOM 664 NE ARG A 91 1.445 9.742 -2.328 1.00 0.88 N ATOM 665 CZ ARG A 91 1.413 11.074 -2.322 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.543 11.719 -1.558 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.246 11.762 -3.095 1.00 1.64 N ATOM 0 H ARG A 91 1.454 7.946 2.330 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.683 8.811 0.837 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.097 6.361 0.748 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.188 6.553 -0.427 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.047 8.555 0.025 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.034 7.336 -1.234 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.066 8.300 -2.149 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.060 9.515 -0.887 1.00 0.29 H new ATOM 0 HE ARG A 91 2.114 9.285 -2.948 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.106 11.196 -0.971 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.523 12.739 -1.557 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.910 11.271 -3.693 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.221 12.782 -3.090 1.00 1.64 H new ATOM 681 N GLN A 92 -1.307 6.021 2.459 1.00 0.09 N ATOM 682 CA GLN A 92 -2.341 5.092 2.874 1.00 0.12 C ATOM 683 C GLN A 92 -3.309 5.751 3.852 1.00 0.11 C ATOM 684 O GLN A 92 -4.522 5.628 3.719 1.00 0.13 O ATOM 685 CB GLN A 92 -1.675 3.872 3.503 1.00 0.18 C ATOM 686 CG GLN A 92 -2.473 2.600 3.351 1.00 0.35 C ATOM 687 CD GLN A 92 -3.379 2.301 4.523 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.828 3.191 5.243 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.644 1.030 4.710 1.00 0.36 N ATOM 0 H GLN A 92 -0.387 5.823 2.852 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.924 4.783 2.006 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.693 3.731 3.050 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.512 4.064 4.564 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.077 2.667 2.446 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.785 1.766 3.214 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.247 0.329 4.085 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.247 0.743 5.481 1.00 0.36 H new ATOM 698 N GLN A 93 -2.757 6.472 4.815 1.00 0.12 N ATOM 699 CA GLN A 93 -3.543 7.154 5.835 1.00 0.14 C ATOM 700 C GLN A 93 -4.477 8.186 5.211 1.00 0.16 C ATOM 701 O GLN A 93 -5.573 8.436 5.718 1.00 0.20 O ATOM 702 CB GLN A 93 -2.620 7.830 6.856 1.00 0.15 C ATOM 703 CG GLN A 93 -1.910 6.857 7.782 1.00 0.15 C ATOM 704 CD GLN A 93 -2.837 5.841 8.410 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.418 6.076 9.470 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.958 4.693 7.765 1.00 0.22 N ATOM 0 H GLN A 93 -1.750 6.602 4.913 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.151 6.407 6.345 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.874 8.419 6.323 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.206 8.526 7.456 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.135 6.334 7.222 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.409 7.418 8.571 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.456 4.545 6.889 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.553 3.956 8.143 1.00 0.22 H new ATOM 715 N ARG A 94 -4.028 8.789 4.117 1.00 0.14 N ATOM 716 CA ARG A 94 -4.810 9.799 3.421 1.00 0.15 C ATOM 717 C ARG A 94 -5.545 9.208 2.220 1.00 0.14 C ATOM 718 O ARG A 94 -6.233 9.916 1.477 1.00 0.19 O ATOM 719 CB ARG A 94 -3.893 10.935 3.005 1.00 0.21 C ATOM 720 CG ARG A 94 -2.898 10.585 1.928 1.00 0.76 C ATOM 721 CD ARG A 94 -1.751 11.581 1.940 1.00 0.64 C ATOM 722 NE ARG A 94 -2.249 12.954 1.785 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.687 14.044 2.320 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.580 13.954 3.038 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.251 15.231 2.134 1.00 1.40 N ATOM 0 H ARG A 94 -3.121 8.594 3.692 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.575 10.185 4.095 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.505 11.768 2.658 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.349 11.283 3.883 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.517 9.576 2.087 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.386 10.591 0.954 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.198 11.494 2.875 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.054 11.349 1.135 1.00 0.64 H new ATOM 0 HE ARG A 94 -3.091 13.087 1.225 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.143 13.045 3.190 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.163 14.794 3.440 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -3.108 15.308 1.586 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.828 16.066 2.539 1.00 1.40 H new ATOM 739 N ALA A 95 -5.390 7.911 2.039 1.00 0.12 N ATOM 740 CA ALA A 95 -6.117 7.190 1.001 1.00 0.12 C ATOM 741 C ALA A 95 -7.557 6.962 1.434 1.00 0.13 C ATOM 742 O ALA A 95 -7.887 7.080 2.614 1.00 0.17 O ATOM 743 CB ALA A 95 -5.448 5.858 0.687 1.00 0.13 C ATOM 0 H ALA A 95 -4.766 7.329 2.597 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.107 7.797 0.096 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.012 5.342 -0.090 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.430 6.035 0.340 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.423 5.242 1.586 1.00 0.13 H new ATOM 749 N HIS A 96 -8.410 6.651 0.471 1.00 0.12 N ATOM 750 CA HIS A 96 -9.818 6.404 0.738 1.00 0.13 C ATOM 751 C HIS A 96 -9.980 5.152 1.573 1.00 0.13 C ATOM 752 O HIS A 96 -9.603 4.067 1.142 1.00 0.12 O ATOM 753 CB HIS A 96 -10.564 6.237 -0.578 1.00 0.14 C ATOM 754 CG HIS A 96 -11.993 6.657 -0.500 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.800 6.205 0.505 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.702 7.490 -1.300 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.974 6.760 0.301 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.968 7.551 -0.780 1.00 0.25 N ATOM 0 H HIS A 96 -8.149 6.563 -0.511 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.228 7.252 1.287 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.062 6.821 -1.350 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.515 5.193 -0.886 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.339 8.006 -2.177 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.838 6.598 0.928 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.752 8.092 -1.144 1.00 0.25 H new ATOM 766 N SER A 97 -10.522 5.313 2.781 1.00 0.16 N ATOM 767 CA SER A 97 -10.767 4.184 3.669 1.00 0.20 C ATOM 768 C SER A 97 -11.624 3.123 2.987 1.00 0.18 C ATOM 769 O SER A 97 -11.476 1.934 3.267 1.00 0.18 O ATOM 770 CB SER A 97 -11.426 4.647 4.972 1.00 0.29 C ATOM 771 OG SER A 97 -11.423 3.608 5.944 1.00 1.32 O ATOM 0 H SER A 97 -10.799 6.217 3.164 1.00 0.16 H new ATOM 0 HA SER A 97 -9.802 3.738 3.910 1.00 0.20 H new ATOM 0 HB2 SER A 97 -10.896 5.516 5.362 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.451 4.961 4.774 1.00 0.29 H new ATOM 0 HG SER A 97 -11.848 3.929 6.767 1.00 1.32 H new ATOM 777 N LEU A 98 -12.527 3.546 2.102 1.00 0.18 N ATOM 778 CA LEU A 98 -13.260 2.610 1.260 1.00 0.18 C ATOM 779 C LEU A 98 -12.314 1.777 0.430 1.00 0.15 C ATOM 780 O LEU A 98 -12.420 0.564 0.395 1.00 0.18 O ATOM 781 CB LEU A 98 -14.187 3.348 0.313 1.00 0.21 C ATOM 782 CG LEU A 98 -15.527 3.760 0.891 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.311 4.517 -0.160 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.303 2.542 1.373 1.00 0.61 C ATOM 0 H LEU A 98 -12.765 4.526 1.952 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.838 1.967 1.924 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.675 4.242 -0.043 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.366 2.716 -0.557 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.364 4.409 1.752 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.276 4.816 0.250 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.754 5.404 -0.460 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.469 3.877 -1.028 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.261 2.860 1.784 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.474 1.865 0.536 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.730 2.028 2.145 1.00 0.61 H new ATOM 796 N PHE A 99 -11.373 2.456 -0.204 1.00 0.12 N ATOM 797 CA PHE A 99 -10.417 1.819 -1.100 1.00 0.11 C ATOM 798 C PHE A 99 -9.503 0.899 -0.308 1.00 0.11 C ATOM 799 O PHE A 99 -9.189 -0.210 -0.735 1.00 0.12 O ATOM 800 CB PHE A 99 -9.590 2.879 -1.827 1.00 0.12 C ATOM 801 CG PHE A 99 -8.366 2.323 -2.487 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.487 1.397 -3.499 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.099 2.721 -2.088 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.369 0.868 -4.109 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.976 2.198 -2.693 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.110 1.269 -3.705 1.00 0.18 C ATOM 0 H PHE A 99 -11.248 3.464 -0.114 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.961 1.231 -1.839 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.213 3.363 -2.580 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.293 3.650 -1.116 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.469 1.081 -3.819 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.991 3.447 -1.296 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.477 0.142 -4.901 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.993 2.515 -2.376 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.232 0.856 -4.180 1.00 0.18 H new ATOM 816 N LEU A 100 -9.087 1.382 0.850 1.00 0.12 N ATOM 817 CA LEU A 100 -8.265 0.608 1.764 1.00 0.14 C ATOM 818 C LEU A 100 -9.019 -0.625 2.246 1.00 0.16 C ATOM 819 O LEU A 100 -8.418 -1.614 2.640 1.00 0.21 O ATOM 820 CB LEU A 100 -7.861 1.483 2.944 1.00 0.17 C ATOM 821 CG LEU A 100 -7.230 2.807 2.551 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.243 3.770 3.720 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.819 2.578 2.061 1.00 0.22 C ATOM 0 H LEU A 100 -9.309 2.320 1.183 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.368 0.272 1.244 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.743 1.681 3.554 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.159 0.930 3.568 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.813 3.250 1.743 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.787 4.713 3.419 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.272 3.948 4.033 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.680 3.343 4.550 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.372 3.532 1.781 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.228 2.120 2.854 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.838 1.917 1.194 1.00 0.22 H new ATOM 835 N ALA A 101 -10.343 -0.568 2.200 1.00 0.16 N ATOM 836 CA ALA A 101 -11.163 -1.722 2.539 1.00 0.19 C ATOM 837 C ALA A 101 -11.722 -2.371 1.281 1.00 0.21 C ATOM 838 O ALA A 101 -12.538 -3.290 1.355 1.00 0.37 O ATOM 839 CB ALA A 101 -12.297 -1.319 3.472 1.00 0.23 C ATOM 0 H ALA A 101 -10.871 0.263 1.932 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.532 -2.447 3.053 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.898 -2.195 3.714 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.882 -0.900 4.389 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.923 -0.573 2.983 1.00 0.23 H new ATOM 845 N SER A 102 -11.259 -1.910 0.128 1.00 0.13 N ATOM 846 CA SER A 102 -11.748 -2.409 -1.143 1.00 0.15 C ATOM 847 C SER A 102 -10.763 -3.397 -1.748 1.00 0.17 C ATOM 848 O SER A 102 -9.552 -3.348 -1.499 1.00 0.25 O ATOM 849 CB SER A 102 -12.019 -1.246 -2.102 1.00 0.18 C ATOM 850 OG SER A 102 -13.195 -0.551 -1.730 1.00 1.40 O ATOM 0 H SER A 102 -10.542 -1.188 0.050 1.00 0.13 H new ATOM 0 HA SER A 102 -12.687 -2.936 -0.971 1.00 0.15 H new ATOM 0 HB2 SER A 102 -11.171 -0.562 -2.100 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.121 -1.624 -3.119 1.00 0.18 H new ATOM 0 HG SER A 102 -13.187 -0.388 -0.764 1.00 1.40 H new ATOM 856 N ALA A 103 -11.327 -4.312 -2.526 1.00 0.20 N ATOM 857 CA ALA A 103 -10.606 -5.443 -3.085 1.00 0.21 C ATOM 858 C ALA A 103 -9.404 -5.020 -3.905 1.00 0.18 C ATOM 859 O ALA A 103 -8.418 -5.746 -3.967 1.00 0.19 O ATOM 860 CB ALA A 103 -11.535 -6.267 -3.946 1.00 0.27 C ATOM 0 H ALA A 103 -12.312 -4.287 -2.789 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.239 -6.035 -2.246 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.990 -7.114 -4.363 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.364 -6.632 -3.340 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.922 -5.650 -4.757 1.00 0.27 H new ATOM 866 N GLU A 104 -9.497 -3.866 -4.550 1.00 0.17 N ATOM 867 CA GLU A 104 -8.408 -3.390 -5.389 1.00 0.17 C ATOM 868 C GLU A 104 -7.123 -3.208 -4.590 1.00 0.14 C ATOM 869 O GLU A 104 -6.054 -3.602 -5.049 1.00 0.14 O ATOM 870 CB GLU A 104 -8.756 -2.089 -6.080 1.00 0.22 C ATOM 871 CG GLU A 104 -7.862 -1.810 -7.273 1.00 0.30 C ATOM 872 CD GLU A 104 -8.112 -0.457 -7.907 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.189 -0.273 -8.511 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.227 0.420 -7.816 1.00 1.70 O ATOM 0 H GLU A 104 -10.307 -3.248 -4.509 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.249 -4.157 -6.147 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.795 -2.122 -6.408 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.672 -1.269 -5.367 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.820 -1.869 -6.959 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.014 -2.588 -8.022 1.00 0.30 H new ATOM 881 N PHE A 105 -7.207 -2.634 -3.391 1.00 0.13 N ATOM 882 CA PHE A 105 -6.015 -2.429 -2.584 1.00 0.13 C ATOM 883 C PHE A 105 -5.485 -3.775 -2.133 1.00 0.12 C ATOM 884 O PHE A 105 -4.280 -3.988 -2.074 1.00 0.13 O ATOM 885 CB PHE A 105 -6.315 -1.546 -1.368 1.00 0.13 C ATOM 886 CG PHE A 105 -5.076 -1.084 -0.655 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.925 -0.825 -1.375 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.059 -0.902 0.721 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.776 -0.393 -0.744 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.909 -0.470 1.358 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.766 -0.214 0.621 1.00 0.14 C ATOM 0 H PHE A 105 -8.075 -2.309 -2.966 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.265 -1.919 -3.188 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.887 -0.676 -1.691 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.943 -2.100 -0.670 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.925 -0.963 -2.446 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.950 -1.099 1.299 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.885 -0.195 -1.321 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.903 -0.333 2.429 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.868 0.126 1.116 1.00 0.14 H new ATOM 901 N CYS A 106 -6.405 -4.686 -1.849 1.00 0.13 N ATOM 902 CA CYS A 106 -6.051 -6.052 -1.498 1.00 0.15 C ATOM 903 C CYS A 106 -5.295 -6.689 -2.650 1.00 0.15 C ATOM 904 O CYS A 106 -4.265 -7.338 -2.458 1.00 0.16 O ATOM 905 CB CYS A 106 -7.321 -6.855 -1.164 1.00 0.19 C ATOM 906 SG CYS A 106 -7.025 -8.603 -0.806 1.00 0.29 S ATOM 0 H CYS A 106 -7.408 -4.501 -1.855 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.409 -6.050 -0.617 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.810 -6.398 -0.304 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -8.015 -6.780 -2.002 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.538 -8.724 0.393 1.00 0.29 H new ATOM 912 N ASN A 107 -5.826 -6.491 -3.845 1.00 0.14 N ATOM 913 CA ASN A 107 -5.188 -6.932 -5.075 1.00 0.16 C ATOM 914 C ASN A 107 -3.778 -6.381 -5.173 1.00 0.15 C ATOM 915 O ASN A 107 -2.803 -7.126 -5.238 1.00 0.17 O ATOM 916 CB ASN A 107 -5.995 -6.423 -6.264 1.00 0.18 C ATOM 917 CG ASN A 107 -6.248 -7.493 -7.306 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.451 -8.413 -7.478 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.365 -7.376 -8.009 1.00 0.34 N ATOM 0 H ASN A 107 -6.717 -6.017 -3.990 1.00 0.14 H new ATOM 0 HA ASN A 107 -5.146 -8.021 -5.076 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.950 -6.035 -5.909 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.465 -5.590 -6.727 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.591 -8.066 -8.726 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.999 -6.596 -7.833 1.00 0.34 H new ATOM 926 N ILE A 108 -3.697 -5.063 -5.114 1.00 0.13 N ATOM 927 CA ILE A 108 -2.460 -4.325 -5.310 1.00 0.13 C ATOM 928 C ILE A 108 -1.427 -4.700 -4.256 1.00 0.11 C ATOM 929 O ILE A 108 -0.261 -4.938 -4.561 1.00 0.12 O ATOM 930 CB ILE A 108 -2.779 -2.819 -5.227 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.583 -2.397 -6.457 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.519 -1.980 -5.070 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.343 -1.104 -6.268 1.00 0.17 C ATOM 0 H ILE A 108 -4.502 -4.465 -4.926 1.00 0.13 H new ATOM 0 HA ILE A 108 -2.040 -4.572 -6.285 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.380 -2.642 -4.335 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.906 -2.290 -7.304 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.288 -3.189 -6.710 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.789 -0.925 -5.015 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.000 -2.270 -4.156 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.864 -2.143 -5.926 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.890 -0.867 -7.180 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.045 -1.212 -5.442 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.642 -0.299 -6.046 1.00 0.17 H new ATOM 945 N LEU A 109 -1.887 -4.766 -3.024 1.00 0.09 N ATOM 946 CA LEU A 109 -1.053 -5.107 -1.888 1.00 0.08 C ATOM 947 C LEU A 109 -0.467 -6.492 -2.015 1.00 0.09 C ATOM 948 O LEU A 109 0.746 -6.678 -1.939 1.00 0.10 O ATOM 949 CB LEU A 109 -1.887 -5.018 -0.635 1.00 0.08 C ATOM 950 CG LEU A 109 -1.795 -3.673 0.057 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.726 -3.625 1.228 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.377 -3.405 0.504 1.00 0.07 C ATOM 0 H LEU A 109 -2.860 -4.583 -2.780 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.220 -4.405 -1.847 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.929 -5.218 -0.886 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.571 -5.797 0.059 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.087 -2.899 -0.653 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.649 -2.653 1.715 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.749 -3.779 0.886 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.459 -4.408 1.937 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.329 -2.435 0.999 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.061 -4.183 1.199 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.284 -3.403 -0.363 1.00 0.07 H new ATOM 964 N SER A 110 -1.337 -7.454 -2.217 1.00 0.10 N ATOM 965 CA SER A 110 -0.923 -8.831 -2.358 1.00 0.12 C ATOM 966 C SER A 110 0.039 -8.968 -3.533 1.00 0.12 C ATOM 967 O SER A 110 0.957 -9.786 -3.508 1.00 0.14 O ATOM 968 CB SER A 110 -2.144 -9.710 -2.548 1.00 0.15 C ATOM 969 OG SER A 110 -3.059 -9.552 -1.475 1.00 1.15 O ATOM 0 H SER A 110 -2.344 -7.307 -2.288 1.00 0.10 H new ATOM 0 HA SER A 110 -0.402 -9.152 -1.456 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.634 -9.458 -3.488 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.837 -10.754 -2.618 1.00 0.15 H new ATOM 0 HG SER A 110 -3.712 -8.857 -1.702 1.00 1.15 H new ATOM 975 N ARG A 111 -0.185 -8.151 -4.556 1.00 0.11 N ATOM 976 CA ARG A 111 0.712 -8.062 -5.693 1.00 0.12 C ATOM 977 C ARG A 111 2.097 -7.574 -5.282 1.00 0.11 C ATOM 978 O ARG A 111 3.091 -8.272 -5.484 1.00 0.13 O ATOM 979 CB ARG A 111 0.123 -7.110 -6.725 1.00 0.16 C ATOM 980 CG ARG A 111 -1.054 -7.678 -7.490 1.00 0.26 C ATOM 981 CD ARG A 111 -0.622 -8.591 -8.618 1.00 0.99 C ATOM 982 NE ARG A 111 0.015 -9.822 -8.147 1.00 1.81 N ATOM 983 CZ ARG A 111 0.977 -10.468 -8.808 1.00 2.57 C ATOM 984 NH1 ARG A 111 1.428 -10.005 -9.968 1.00 2.67 N ATOM 985 NH2 ARG A 111 1.485 -11.587 -8.312 1.00 3.55 N ATOM 0 H ARG A 111 -0.995 -7.533 -4.617 1.00 0.11 H new ATOM 0 HA ARG A 111 0.821 -9.060 -6.117 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.192 -6.196 -6.222 1.00 0.16 H new ATOM 0 HB3 ARG A 111 0.903 -6.832 -7.434 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.697 -8.231 -6.805 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.649 -6.860 -7.896 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.491 -8.847 -9.224 1.00 0.99 H new ATOM 0 HD3 ARG A 111 0.071 -8.055 -9.266 1.00 0.99 H new ATOM 0 HE ARG A 111 -0.297 -10.211 -7.257 1.00 1.81 H new ATOM 0 HH11 ARG A 111 1.039 -9.148 -10.361 1.00 2.67 H new ATOM 0 HH12 ARG A 111 2.164 -10.506 -10.466 1.00 2.67 H new ATOM 0 HH21 ARG A 111 1.140 -11.954 -7.425 1.00 3.55 H new ATOM 0 HH22 ARG A 111 2.221 -12.081 -8.817 1.00 3.55 H new ATOM 999 N VAL A 112 2.154 -6.388 -4.679 1.00 0.10 N ATOM 1000 CA VAL A 112 3.434 -5.751 -4.389 1.00 0.10 C ATOM 1001 C VAL A 112 4.211 -6.490 -3.327 1.00 0.11 C ATOM 1002 O VAL A 112 5.402 -6.670 -3.465 1.00 0.12 O ATOM 1003 CB VAL A 112 3.305 -4.274 -3.967 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.069 -3.402 -5.170 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.204 -4.070 -2.955 1.00 0.10 C ATOM 0 H VAL A 112 1.336 -5.854 -4.385 1.00 0.10 H new ATOM 0 HA VAL A 112 3.976 -5.790 -5.334 1.00 0.10 H new ATOM 0 HB VAL A 112 4.245 -3.989 -3.495 1.00 0.10 H new ATOM 0 HG11 VAL A 112 2.980 -2.363 -4.854 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.906 -3.501 -5.861 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.149 -3.710 -5.668 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.148 -3.015 -2.686 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.253 -4.386 -3.384 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.415 -4.661 -2.064 1.00 0.10 H new ATOM 1015 N LEU A 113 3.535 -6.920 -2.280 1.00 0.10 N ATOM 1016 CA LEU A 113 4.182 -7.656 -1.202 1.00 0.11 C ATOM 1017 C LEU A 113 4.874 -8.903 -1.720 1.00 0.12 C ATOM 1018 O LEU A 113 6.052 -9.143 -1.451 1.00 0.14 O ATOM 1019 CB LEU A 113 3.153 -8.031 -0.159 1.00 0.11 C ATOM 1020 CG LEU A 113 3.117 -7.078 1.011 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.784 -6.362 1.082 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.421 -7.815 2.292 1.00 0.28 C ATOM 0 H LEU A 113 2.534 -6.774 -2.149 1.00 0.10 H new ATOM 0 HA LEU A 113 4.942 -7.014 -0.757 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.168 -8.062 -0.625 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.365 -9.036 0.206 1.00 0.11 H new ATOM 0 HG LEU A 113 3.886 -6.318 0.869 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.782 -5.681 1.933 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.625 -5.796 0.164 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.984 -7.093 1.200 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.392 -7.117 3.129 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.678 -8.598 2.446 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.412 -8.263 2.227 1.00 0.28 H new ATOM 1034 N SER A 114 4.119 -9.683 -2.456 1.00 0.13 N ATOM 1035 CA SER A 114 4.627 -10.910 -3.067 1.00 0.15 C ATOM 1036 C SER A 114 5.814 -10.606 -3.974 1.00 0.15 C ATOM 1037 O SER A 114 6.807 -11.338 -3.985 1.00 0.17 O ATOM 1038 CB SER A 114 3.527 -11.620 -3.862 1.00 0.17 C ATOM 1039 OG SER A 114 2.434 -11.969 -3.028 1.00 1.00 O ATOM 0 H SER A 114 3.136 -9.495 -2.654 1.00 0.13 H new ATOM 0 HA SER A 114 4.957 -11.572 -2.266 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.181 -10.972 -4.667 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.933 -12.518 -4.328 1.00 0.17 H new ATOM 0 HG SER A 114 1.665 -11.401 -3.242 1.00 1.00 H new ATOM 1045 N ARG A 115 5.709 -9.517 -4.725 1.00 0.13 N ATOM 1046 CA ARG A 115 6.799 -9.062 -5.569 1.00 0.14 C ATOM 1047 C ARG A 115 7.958 -8.558 -4.719 1.00 0.14 C ATOM 1048 O ARG A 115 9.112 -8.790 -5.033 1.00 0.18 O ATOM 1049 CB ARG A 115 6.328 -7.932 -6.478 1.00 0.17 C ATOM 1050 CG ARG A 115 5.447 -8.361 -7.634 1.00 0.24 C ATOM 1051 CD ARG A 115 4.915 -7.144 -8.373 1.00 0.35 C ATOM 1052 NE ARG A 115 4.421 -7.469 -9.708 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.854 -6.585 -10.530 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.710 -5.315 -10.157 1.00 1.20 N ATOM 1055 NH2 ARG A 115 3.443 -6.967 -11.733 1.00 1.83 N ATOM 0 H ARG A 115 4.874 -8.932 -4.765 1.00 0.13 H new ATOM 0 HA ARG A 115 7.131 -9.906 -6.173 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.782 -7.206 -5.876 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.203 -7.420 -6.879 1.00 0.17 H new ATOM 0 HG2 ARG A 115 6.015 -8.991 -8.319 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.616 -8.962 -7.263 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.110 -6.694 -7.792 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.706 -6.398 -8.454 1.00 0.35 H new ATOM 0 HE ARG A 115 4.515 -8.432 -10.032 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.034 -5.013 -9.238 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.276 -4.644 -10.790 1.00 1.20 H new ATOM 0 HH21 ARG A 115 3.561 -7.936 -12.028 1.00 1.83 H new ATOM 0 HH22 ARG A 115 3.009 -6.291 -12.362 1.00 1.83 H new ATOM 1069 N ALA A 116 7.619 -7.853 -3.653 1.00 0.13 N ATOM 1070 CA ALA A 116 8.600 -7.183 -2.796 1.00 0.14 C ATOM 1071 C ALA A 116 9.463 -8.178 -2.033 1.00 0.16 C ATOM 1072 O ALA A 116 10.668 -7.988 -1.893 1.00 0.18 O ATOM 1073 CB ALA A 116 7.886 -6.236 -1.843 1.00 0.15 C ATOM 0 H ALA A 116 6.653 -7.725 -3.351 1.00 0.13 H new ATOM 0 HA ALA A 116 9.272 -6.609 -3.434 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.619 -5.739 -1.207 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.337 -5.489 -2.416 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.190 -6.801 -1.222 1.00 0.15 H new ATOM 1079 N ARG A 117 8.846 -9.234 -1.536 1.00 0.19 N ATOM 1080 CA ARG A 117 9.584 -10.284 -0.857 1.00 0.24 C ATOM 1081 C ARG A 117 10.492 -11.036 -1.822 1.00 0.26 C ATOM 1082 O ARG A 117 11.519 -11.588 -1.431 1.00 0.32 O ATOM 1083 CB ARG A 117 8.627 -11.249 -0.172 1.00 0.28 C ATOM 1084 CG ARG A 117 8.401 -10.894 1.278 1.00 0.61 C ATOM 1085 CD ARG A 117 7.027 -10.297 1.539 1.00 0.34 C ATOM 1086 NE ARG A 117 6.852 -9.980 2.958 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.746 -10.235 3.662 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.708 -10.839 3.097 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.686 -9.891 4.942 1.00 2.33 N ATOM 0 H ARG A 117 7.839 -9.388 -1.589 1.00 0.19 H new ATOM 0 HA ARG A 117 10.213 -9.814 -0.101 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.672 -11.246 -0.698 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.025 -12.262 -0.239 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.524 -11.789 1.888 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.165 -10.184 1.595 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.900 -9.393 0.943 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.256 -10.999 1.222 1.00 0.34 H new ATOM 0 HE ARG A 117 7.630 -9.533 3.443 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.750 -11.113 2.116 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.868 -11.029 3.644 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.483 -9.433 5.385 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.843 -10.084 5.483 1.00 2.33 H new ATOM 1103 N SER A 118 10.101 -11.042 -3.079 1.00 0.26 N ATOM 1104 CA SER A 118 10.876 -11.684 -4.132 1.00 0.31 C ATOM 1105 C SER A 118 11.937 -10.737 -4.648 1.00 0.28 C ATOM 1106 O SER A 118 13.057 -11.136 -4.974 1.00 0.32 O ATOM 1107 CB SER A 118 9.954 -12.067 -5.283 1.00 0.37 C ATOM 1108 OG SER A 118 10.425 -13.201 -5.993 1.00 0.68 O ATOM 0 H SER A 118 9.239 -10.604 -3.404 1.00 0.26 H new ATOM 0 HA SER A 118 11.352 -12.575 -3.724 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.957 -12.272 -4.894 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.862 -11.224 -5.968 1.00 0.37 H new ATOM 0 HG SER A 118 9.804 -13.413 -6.721 1.00 0.68 H new ATOM 1114 N ARG A 119 11.568 -9.477 -4.697 1.00 0.23 N ATOM 1115 CA ARG A 119 12.377 -8.450 -5.301 1.00 0.20 C ATOM 1116 C ARG A 119 12.507 -7.258 -4.387 1.00 0.18 C ATOM 1117 O ARG A 119 11.905 -6.211 -4.623 1.00 0.17 O ATOM 1118 CB ARG A 119 11.738 -8.020 -6.603 1.00 0.25 C ATOM 1119 CG ARG A 119 12.098 -8.908 -7.761 1.00 0.33 C ATOM 1120 CD ARG A 119 13.476 -8.577 -8.290 1.00 0.33 C ATOM 1121 NE ARG A 119 13.975 -9.650 -9.143 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.263 -9.905 -9.349 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.199 -9.157 -8.774 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.612 -10.925 -10.120 1.00 1.19 N ATOM 0 H ARG A 119 10.687 -9.136 -4.313 1.00 0.23 H new ATOM 0 HA ARG A 119 13.374 -8.852 -5.484 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.655 -8.011 -6.483 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.042 -6.998 -6.829 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.066 -9.951 -7.447 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.362 -8.791 -8.556 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.440 -7.645 -8.854 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.162 -8.419 -7.458 1.00 0.33 H new ATOM 0 HE ARG A 119 13.291 -10.243 -9.612 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.931 -8.380 -8.169 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.185 -9.359 -8.937 1.00 1.48 H new ATOM 0 HH21 ARG A 119 14.894 -11.508 -10.551 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.598 -11.127 -10.283 1.00 1.19 H new ATOM 1138 N PRO A 120 13.301 -7.396 -3.334 1.00 0.19 N ATOM 1139 CA PRO A 120 13.538 -6.318 -2.381 1.00 0.19 C ATOM 1140 C PRO A 120 14.342 -5.164 -2.987 1.00 0.20 C ATOM 1141 O PRO A 120 14.470 -4.100 -2.379 1.00 0.21 O ATOM 1142 CB PRO A 120 14.315 -7.017 -1.278 1.00 0.23 C ATOM 1143 CG PRO A 120 15.032 -8.098 -1.989 1.00 0.25 C ATOM 1144 CD PRO A 120 14.021 -8.624 -2.956 1.00 0.22 C ATOM 0 HA PRO A 120 12.616 -5.848 -2.040 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.007 -6.336 -0.781 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.651 -7.414 -0.510 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.917 -7.721 -2.502 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.369 -8.874 -1.301 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.488 -9.105 -3.815 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.361 -9.361 -2.498 1.00 0.22 H new ATOM 1152 N ALA A 121 14.887 -5.372 -4.190 1.00 0.20 N ATOM 1153 CA ALA A 121 15.546 -4.282 -4.904 1.00 0.22 C ATOM 1154 C ALA A 121 14.495 -3.456 -5.608 1.00 0.19 C ATOM 1155 O ALA A 121 14.608 -2.240 -5.754 1.00 0.21 O ATOM 1156 CB ALA A 121 16.546 -4.805 -5.919 1.00 0.25 C ATOM 0 H ALA A 121 14.884 -6.267 -4.679 1.00 0.20 H new ATOM 0 HA ALA A 121 16.091 -3.674 -4.182 1.00 0.22 H new ATOM 0 HB1 ALA A 121 17.017 -3.966 -6.431 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.309 -5.393 -5.409 1.00 0.25 H new ATOM 0 HB3 ALA A 121 16.031 -5.432 -6.647 1.00 0.25 H new ATOM 1162 N LYS A 122 13.462 -4.156 -6.033 1.00 0.16 N ATOM 1163 CA LYS A 122 12.343 -3.542 -6.703 1.00 0.16 C ATOM 1164 C LYS A 122 11.318 -3.050 -5.704 1.00 0.11 C ATOM 1165 O LYS A 122 10.235 -2.634 -6.095 1.00 0.11 O ATOM 1166 CB LYS A 122 11.694 -4.518 -7.667 1.00 0.20 C ATOM 1167 CG LYS A 122 12.626 -4.956 -8.768 1.00 0.27 C ATOM 1168 CD LYS A 122 11.934 -4.979 -10.108 1.00 0.41 C ATOM 1169 CE LYS A 122 10.713 -5.846 -10.074 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.027 -5.898 -11.388 1.00 1.07 N ATOM 0 H LYS A 122 13.379 -5.166 -5.921 1.00 0.16 H new ATOM 0 HA LYS A 122 12.720 -2.688 -7.265 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.353 -5.394 -7.116 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.811 -4.055 -8.107 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.481 -4.281 -8.811 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.015 -5.949 -8.542 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.655 -3.965 -10.393 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.622 -5.346 -10.869 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.994 -6.855 -9.772 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.022 -5.469 -9.320 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.188 -6.509 -11.318 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.735 -4.939 -11.665 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.676 -6.282 -12.104 1.00 1.07 H new ATOM 1184 N LEU A 123 11.636 -3.131 -4.416 1.00 0.10 N ATOM 1185 CA LEU A 123 10.773 -2.594 -3.388 1.00 0.08 C ATOM 1186 C LEU A 123 10.290 -1.204 -3.745 1.00 0.08 C ATOM 1187 O LEU A 123 9.103 -0.974 -3.766 1.00 0.13 O ATOM 1188 CB LEU A 123 11.502 -2.564 -2.057 1.00 0.12 C ATOM 1189 CG LEU A 123 10.679 -2.012 -0.909 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.484 -2.901 -0.644 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.534 -1.856 0.329 1.00 0.23 C ATOM 0 H LEU A 123 12.489 -3.566 -4.066 1.00 0.10 H new ATOM 0 HA LEU A 123 9.902 -3.244 -3.308 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.820 -3.576 -1.807 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.405 -1.963 -2.164 1.00 0.12 H new ATOM 0 HG LEU A 123 10.309 -1.024 -1.184 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.903 -2.492 0.183 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.861 -2.949 -1.537 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.826 -3.903 -0.386 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.927 -1.459 1.143 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.937 -2.827 0.617 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.355 -1.170 0.120 1.00 0.23 H new ATOM 1203 N TYR A 124 11.207 -0.267 -3.982 1.00 0.11 N ATOM 1204 CA TYR A 124 10.839 1.054 -4.439 1.00 0.10 C ATOM 1205 C TYR A 124 9.845 1.051 -5.575 1.00 0.11 C ATOM 1206 O TYR A 124 9.021 1.942 -5.662 1.00 0.14 O ATOM 1207 CB TYR A 124 12.073 1.805 -4.845 1.00 0.14 C ATOM 1208 CG TYR A 124 12.297 2.970 -3.954 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.248 2.785 -2.596 1.00 0.33 C ATOM 1210 CD2 TYR A 124 12.557 4.234 -4.446 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.448 3.812 -1.735 1.00 0.74 C ATOM 1212 CE2 TYR A 124 12.761 5.292 -3.591 1.00 1.74 C ATOM 1213 CZ TYR A 124 12.709 5.081 -2.229 1.00 1.45 C ATOM 1214 OH TYR A 124 12.917 6.132 -1.366 1.00 1.89 O ATOM 0 H TYR A 124 12.210 -0.408 -3.862 1.00 0.11 H new ATOM 0 HA TYR A 124 10.344 1.546 -3.602 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.937 1.141 -4.808 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.975 2.144 -5.876 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.046 1.799 -2.204 1.00 0.33 H new ATOM 0 HD2 TYR A 124 12.601 4.393 -5.513 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.404 3.643 -0.669 1.00 0.74 H new ATOM 0 HE2 TYR A 124 12.960 6.279 -3.983 1.00 1.74 H new ATOM 0 HH TYR A 124 13.087 6.949 -1.880 1.00 1.89 H new ATOM 1224 N VAL A 125 9.872 0.041 -6.406 1.00 0.10 N ATOM 1225 CA VAL A 125 8.931 -0.026 -7.495 1.00 0.12 C ATOM 1226 C VAL A 125 7.551 -0.200 -6.909 1.00 0.11 C ATOM 1227 O VAL A 125 6.600 0.466 -7.282 1.00 0.14 O ATOM 1228 CB VAL A 125 9.230 -1.215 -8.402 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.289 -1.205 -9.578 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.688 -1.188 -8.822 1.00 0.18 C ATOM 0 H VAL A 125 10.527 -0.739 -6.352 1.00 0.10 H new ATOM 0 HA VAL A 125 9.001 0.887 -8.086 1.00 0.12 H new ATOM 0 HB VAL A 125 9.067 -2.149 -7.864 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.505 -2.056 -10.224 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.261 -1.272 -9.222 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.419 -0.280 -10.140 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.896 -2.040 -9.470 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.894 -0.263 -9.361 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.323 -1.242 -7.937 1.00 0.18 H new ATOM 1240 N TYR A 126 7.522 -1.082 -5.938 1.00 0.07 N ATOM 1241 CA TYR A 126 6.336 -1.464 -5.199 1.00 0.08 C ATOM 1242 C TYR A 126 5.923 -0.351 -4.235 1.00 0.08 C ATOM 1243 O TYR A 126 4.739 -0.065 -4.075 1.00 0.10 O ATOM 1244 CB TYR A 126 6.684 -2.752 -4.457 1.00 0.11 C ATOM 1245 CG TYR A 126 7.339 -3.769 -5.364 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.977 -3.882 -6.704 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.332 -4.600 -4.887 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.593 -4.798 -7.532 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.945 -5.523 -5.711 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.572 -5.614 -7.026 1.00 0.28 C ATOM 1251 OH TYR A 126 9.162 -6.554 -7.833 1.00 0.36 O ATOM 0 H TYR A 126 8.358 -1.575 -5.626 1.00 0.07 H new ATOM 0 HA TYR A 126 5.486 -1.626 -5.862 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.352 -2.523 -3.627 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.778 -3.179 -4.028 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.202 -3.243 -7.101 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.635 -4.527 -3.853 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.306 -4.872 -8.571 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.716 -6.171 -5.320 1.00 0.27 H new ATOM 0 HH TYR A 126 8.605 -6.700 -8.626 1.00 0.36 H new ATOM 1261 N ILE A 127 6.912 0.270 -3.597 1.00 0.08 N ATOM 1262 CA ILE A 127 6.698 1.431 -2.748 1.00 0.11 C ATOM 1263 C ILE A 127 6.093 2.561 -3.554 1.00 0.12 C ATOM 1264 O ILE A 127 5.041 3.093 -3.204 1.00 0.14 O ATOM 1265 CB ILE A 127 8.024 1.906 -2.120 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.548 0.847 -1.177 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.852 3.218 -1.368 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.982 1.077 -0.785 1.00 0.13 C ATOM 0 H ILE A 127 7.887 -0.022 -3.657 1.00 0.08 H new ATOM 0 HA ILE A 127 6.014 1.143 -1.950 1.00 0.11 H new ATOM 0 HB ILE A 127 8.736 2.073 -2.928 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.929 0.827 -0.280 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.457 -0.131 -1.649 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.808 3.520 -0.940 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.503 3.988 -2.056 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.122 3.087 -0.569 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.305 0.287 -0.107 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.609 1.069 -1.677 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.073 2.042 -0.286 1.00 0.13 H new ATOM 1280 N ASN A 128 6.756 2.913 -4.649 1.00 0.12 N ATOM 1281 CA ASN A 128 6.231 3.933 -5.552 1.00 0.15 C ATOM 1282 C ASN A 128 4.909 3.482 -6.171 1.00 0.12 C ATOM 1283 O ASN A 128 4.022 4.300 -6.396 1.00 0.12 O ATOM 1284 CB ASN A 128 7.239 4.283 -6.655 1.00 0.20 C ATOM 1285 CG ASN A 128 8.398 5.121 -6.146 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.342 6.351 -6.144 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.459 4.460 -5.713 1.00 0.42 N ATOM 0 H ASN A 128 7.650 2.512 -4.933 1.00 0.12 H new ATOM 0 HA ASN A 128 6.054 4.831 -4.960 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.626 3.363 -7.093 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.727 4.824 -7.451 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.269 4.970 -5.361 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.467 3.440 -5.731 1.00 0.42 H new ATOM 1294 N GLU A 129 4.774 2.181 -6.424 1.00 0.11 N ATOM 1295 CA GLU A 129 3.542 1.611 -6.959 1.00 0.10 C ATOM 1296 C GLU A 129 2.375 1.857 -6.019 1.00 0.09 C ATOM 1297 O GLU A 129 1.382 2.477 -6.390 1.00 0.14 O ATOM 1298 CB GLU A 129 3.718 0.105 -7.180 1.00 0.14 C ATOM 1299 CG GLU A 129 3.379 -0.336 -8.571 1.00 0.26 C ATOM 1300 CD GLU A 129 3.988 -1.674 -8.954 1.00 1.41 C ATOM 1301 OE1 GLU A 129 3.368 -2.720 -8.664 1.00 1.55 O ATOM 1302 OE2 GLU A 129 5.100 -1.684 -9.526 1.00 2.29 O ATOM 0 H GLU A 129 5.513 1.496 -6.264 1.00 0.11 H new ATOM 0 HA GLU A 129 3.326 2.097 -7.910 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.750 -0.169 -6.962 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.089 -0.435 -6.472 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.295 -0.399 -8.668 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.719 0.423 -9.276 1.00 0.26 H new ATOM 1309 N LEU A 130 2.527 1.389 -4.795 1.00 0.07 N ATOM 1310 CA LEU A 130 1.498 1.501 -3.780 1.00 0.08 C ATOM 1311 C LEU A 130 1.251 2.966 -3.452 1.00 0.09 C ATOM 1312 O LEU A 130 0.114 3.383 -3.268 1.00 0.10 O ATOM 1313 CB LEU A 130 1.921 0.744 -2.529 1.00 0.08 C ATOM 1314 CG LEU A 130 0.775 0.162 -1.716 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.111 -0.976 -2.466 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.283 -0.312 -0.373 1.00 0.08 C ATOM 0 H LEU A 130 3.373 0.918 -4.475 1.00 0.07 H new ATOM 0 HA LEU A 130 0.573 1.066 -4.158 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.589 -0.066 -2.821 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.495 1.416 -1.891 1.00 0.08 H new ATOM 0 HG LEU A 130 0.030 0.941 -1.555 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.706 -1.379 -1.867 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.281 -0.607 -3.414 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.842 -1.762 -2.657 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.456 -0.727 0.203 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.043 -1.079 -0.522 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.717 0.528 0.169 1.00 0.08 H new ATOM 1328 N CYS A 131 2.324 3.746 -3.409 1.00 0.11 N ATOM 1329 CA CYS A 131 2.215 5.183 -3.196 1.00 0.13 C ATOM 1330 C CYS A 131 1.386 5.815 -4.305 1.00 0.13 C ATOM 1331 O CYS A 131 0.530 6.657 -4.051 1.00 0.14 O ATOM 1332 CB CYS A 131 3.604 5.828 -3.143 1.00 0.18 C ATOM 1333 SG CYS A 131 3.593 7.631 -3.198 1.00 1.39 S ATOM 0 H CYS A 131 3.280 3.407 -3.519 1.00 0.11 H new ATOM 0 HA CYS A 131 1.719 5.354 -2.241 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.105 5.508 -2.229 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.196 5.455 -3.979 1.00 0.18 H new ATOM 0 HG CYS A 131 4.495 8.095 -2.385 1.00 1.39 H new ATOM 1339 N THR A 132 1.638 5.386 -5.535 1.00 0.12 N ATOM 1340 CA THR A 132 0.902 5.884 -6.687 1.00 0.14 C ATOM 1341 C THR A 132 -0.546 5.417 -6.612 1.00 0.11 C ATOM 1342 O THR A 132 -1.467 6.181 -6.864 1.00 0.15 O ATOM 1343 CB THR A 132 1.548 5.410 -8.007 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.882 5.933 -8.113 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.734 5.846 -9.215 1.00 0.24 C ATOM 0 H THR A 132 2.350 4.691 -5.760 1.00 0.12 H new ATOM 0 HA THR A 132 0.932 6.973 -6.671 1.00 0.14 H new ATOM 0 HB THR A 132 1.577 4.320 -7.992 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.515 5.298 -7.717 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.218 5.495 -10.126 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.268 5.422 -9.151 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.667 6.934 -9.235 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.722 4.153 -6.271 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.027 3.579 -5.973 1.00 0.07 C ATOM 1355 C VAL A 133 -2.809 4.424 -4.979 1.00 0.07 C ATOM 1356 O VAL A 133 -3.979 4.746 -5.192 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.825 2.170 -5.405 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.032 1.676 -4.631 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.487 1.214 -6.524 1.00 0.10 C ATOM 0 H VAL A 133 0.045 3.486 -6.192 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.606 3.545 -6.896 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.997 2.216 -4.698 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.835 0.674 -4.251 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.229 2.349 -3.796 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.901 1.650 -5.289 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.344 0.213 -6.117 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.302 1.198 -7.248 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.571 1.540 -7.016 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.154 4.779 -3.898 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.786 5.543 -2.837 1.00 0.11 C ATOM 1371 C LEU A 134 -2.984 6.992 -3.257 1.00 0.14 C ATOM 1372 O LEU A 134 -3.909 7.655 -2.805 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.936 5.455 -1.582 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.689 4.032 -1.082 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.647 4.027 0.018 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.986 3.401 -0.602 1.00 0.16 C ATOM 0 H LEU A 134 -1.175 4.550 -3.726 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.771 5.124 -2.632 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.974 5.930 -1.776 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.420 6.026 -0.790 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.309 3.436 -1.912 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.485 3.005 0.361 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.289 4.434 -0.365 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.994 4.638 0.851 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.789 2.388 -0.250 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.400 3.995 0.213 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.700 3.367 -1.425 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.107 7.469 -4.129 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.202 8.765 -4.719 1.00 0.17 C ATOM 1390 C LYS A 135 -3.344 8.769 -5.728 1.00 0.15 C ATOM 1391 O LYS A 135 -3.980 9.790 -5.977 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.859 9.035 -5.393 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.593 10.483 -5.642 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.415 10.982 -6.806 1.00 0.68 C ATOM 1395 CE LYS A 135 -0.956 10.365 -8.120 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.836 10.738 -9.258 1.00 1.82 N ATOM 0 H LYS A 135 -1.294 6.939 -4.443 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.412 9.542 -3.983 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.062 8.630 -4.770 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.825 8.500 -6.342 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.830 11.061 -4.749 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.467 10.634 -5.847 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.466 10.744 -6.639 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.340 12.068 -6.867 1.00 0.68 H new ATOM 0 HE2 LYS A 135 0.064 10.686 -8.332 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -0.935 9.280 -8.021 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.483 10.294 -10.130 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.805 10.409 -9.070 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -1.837 11.772 -9.372 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.598 7.602 -6.291 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.632 7.432 -7.275 1.00 0.14 C ATOM 1412 C ALA A 136 -5.991 7.409 -6.607 1.00 0.16 C ATOM 1413 O ALA A 136 -6.975 7.911 -7.143 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.399 6.134 -8.033 1.00 0.17 C ATOM 0 H ALA A 136 -3.087 6.747 -6.073 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.604 8.268 -7.974 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.182 6.003 -8.780 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.428 6.171 -8.528 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.419 5.297 -7.335 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.028 6.817 -5.425 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.282 6.592 -4.730 1.00 0.23 C ATOM 1422 C HIS A 137 -7.257 7.209 -3.337 1.00 0.24 C ATOM 1423 O HIS A 137 -7.693 6.595 -2.362 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.569 5.090 -4.652 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.412 4.391 -5.968 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.949 4.866 -7.136 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.733 3.272 -6.300 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.603 4.076 -8.130 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.868 3.089 -7.652 1.00 0.34 N ATOM 0 H HIS A 137 -5.203 6.484 -4.927 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.081 7.077 -5.291 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.897 4.635 -3.924 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.585 4.939 -4.286 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.183 2.636 -5.623 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.875 4.213 -9.166 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.469 2.323 -8.195 1.00 0.34 H new