USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 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 Single : A 60 LYS NZ :NH3+ -127:sc= 0.256 (180deg=-4.7!) USER MOD Single : A 63 ASN : amide:sc= -0.133 K(o=-0.13,f=-9.4!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0796 (180deg=-0.361) USER MOD Single : A 74 CYS SG : rot 67:sc= -0.276 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.1) USER MOD Single : A 76 MET CE :methyl 174:sc= -3.55! (180deg=-3.91!) USER MOD Single : A 77 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 78 THR OG1 : rot -39:sc= 1.23 USER MOD Single : A 81 HIS :FLIP no HE2:sc= 0.29 F(o=-2.3!,f=0.29) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.328 K(o=0.33,f=-8.4!) USER MOD Single : A 92 GLN : amide:sc= -0.727 K(o=-0.73,f=-6!) USER MOD Single : A 93 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.28) USER MOD Single : A 96 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.51) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 89:sc= 1.23 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 124 TYR OH : rot -138:sc= 1.15 USER MOD Single : A 126 TYR OH : rot -144:sc= -3.23! USER MOD Single : A 128 ASN :FLIP amide:sc= -0.847 F(o=-3.5!,f=-0.85) USER MOD Single : A 131 CYS SG : rot 129:sc= 0.025! USER MOD Single : A 132 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS :FLIP no HE2:sc= -1.2 F(o=-2.4,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.526 -4.453 4.479 1.00 0.29 N ATOM 139 CA LYS A 60 -9.939 -3.375 5.282 1.00 0.29 C ATOM 140 C LYS A 60 -8.839 -3.896 6.215 1.00 0.25 C ATOM 141 O LYS A 60 -7.693 -3.471 6.130 1.00 0.26 O ATOM 142 CB LYS A 60 -11.061 -2.693 6.091 1.00 0.37 C ATOM 143 CG LYS A 60 -10.608 -1.546 6.988 1.00 0.57 C ATOM 144 CD LYS A 60 -10.090 -2.043 8.322 1.00 0.43 C ATOM 145 CE LYS A 60 -9.797 -0.892 9.260 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.816 0.064 8.682 1.00 1.62 N ATOM 0 HA LYS A 60 -9.470 -2.653 4.613 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.811 -2.315 5.396 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.550 -3.445 6.709 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.826 -0.978 6.484 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.442 -0.864 7.154 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.826 -2.707 8.776 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.184 -2.629 8.168 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.724 -0.366 9.488 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.411 -1.282 10.202 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.035 0.208 9.353 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.440 -0.320 7.791 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.285 0.973 8.496 1.00 1.62 H new ATOM 160 N LEU A 61 -9.184 -4.848 7.068 1.00 0.25 N ATOM 161 CA LEU A 61 -8.221 -5.411 7.997 1.00 0.25 C ATOM 162 C LEU A 61 -7.033 -6.002 7.273 1.00 0.26 C ATOM 163 O LEU A 61 -5.882 -5.776 7.647 1.00 0.30 O ATOM 164 CB LEU A 61 -8.867 -6.484 8.843 1.00 0.30 C ATOM 165 CG LEU A 61 -8.928 -6.152 10.324 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.266 -7.393 11.127 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.614 -5.524 10.787 1.00 0.63 C ATOM 0 H LEU A 61 -10.121 -5.245 7.135 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.873 -4.598 8.634 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.879 -6.659 8.479 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.316 -7.415 8.713 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.719 -5.421 10.490 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.306 -7.141 12.187 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.234 -7.780 10.809 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.501 -8.152 10.964 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.676 -5.293 11.850 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.796 -6.223 10.615 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.431 -4.607 10.226 1.00 0.63 H new ATOM 179 N GLU A 62 -7.332 -6.765 6.250 1.00 0.25 N ATOM 180 CA GLU A 62 -6.349 -7.366 5.435 1.00 0.29 C ATOM 181 C GLU A 62 -5.415 -6.349 4.816 1.00 0.23 C ATOM 182 O GLU A 62 -4.206 -6.515 4.860 1.00 0.20 O ATOM 183 CB GLU A 62 -7.061 -8.133 4.390 1.00 0.39 C ATOM 184 CG GLU A 62 -6.905 -9.596 4.604 1.00 0.63 C ATOM 185 CD GLU A 62 -7.668 -10.104 5.812 1.00 1.48 C ATOM 186 OE1 GLU A 62 -8.916 -10.049 5.795 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.031 -10.578 6.775 1.00 2.20 O ATOM 0 H GLU A 62 -8.289 -6.979 5.970 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.718 -8.017 6.040 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.119 -7.871 4.399 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.674 -7.862 3.408 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.248 -10.126 3.715 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.847 -9.829 4.725 1.00 0.63 H new ATOM 194 N ASN A 63 -5.981 -5.298 4.255 1.00 0.22 N ATOM 195 CA ASN A 63 -5.204 -4.285 3.567 1.00 0.19 C ATOM 196 C ASN A 63 -4.355 -3.506 4.543 1.00 0.15 C ATOM 197 O ASN A 63 -3.190 -3.230 4.268 1.00 0.16 O ATOM 198 CB ASN A 63 -6.118 -3.348 2.790 1.00 0.21 C ATOM 199 CG ASN A 63 -6.781 -4.034 1.616 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.264 -5.009 1.084 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.930 -3.524 1.207 1.00 0.27 N ATOM 0 H ASN A 63 -6.986 -5.123 4.263 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.541 -4.785 2.862 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.884 -2.955 3.458 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.541 -2.496 2.431 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.422 -3.944 0.419 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.324 -2.711 1.680 1.00 0.27 H new ATOM 208 N GLU A 64 -4.936 -3.156 5.681 1.00 0.15 N ATOM 209 CA GLU A 64 -4.201 -2.607 6.775 1.00 0.16 C ATOM 210 C GLU A 64 -2.996 -3.471 7.086 1.00 0.14 C ATOM 211 O GLU A 64 -1.859 -3.013 7.057 1.00 0.17 O ATOM 212 CB GLU A 64 -5.131 -2.548 7.951 1.00 0.21 C ATOM 213 CG GLU A 64 -5.936 -1.276 7.992 1.00 0.30 C ATOM 214 CD GLU A 64 -6.432 -0.756 6.659 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.585 -0.346 5.844 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.648 -0.810 6.408 1.00 1.75 O ATOM 0 H GLU A 64 -5.936 -3.251 5.857 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.832 -1.611 6.532 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.809 -3.401 7.916 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.553 -2.637 8.871 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.798 -1.437 8.639 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.328 -0.500 8.458 1.00 0.30 H new ATOM 223 N LYS A 65 -3.271 -4.742 7.340 1.00 0.13 N ATOM 224 CA LYS A 65 -2.266 -5.708 7.682 1.00 0.14 C ATOM 225 C LYS A 65 -1.221 -5.844 6.589 1.00 0.12 C ATOM 226 O LYS A 65 -0.029 -5.733 6.846 1.00 0.14 O ATOM 227 CB LYS A 65 -2.948 -7.040 7.885 1.00 0.20 C ATOM 228 CG LYS A 65 -2.269 -7.891 8.915 1.00 0.44 C ATOM 229 CD LYS A 65 -1.357 -8.934 8.290 1.00 0.86 C ATOM 230 CE LYS A 65 -2.144 -9.969 7.501 1.00 1.32 C ATOM 231 NZ LYS A 65 -3.112 -10.697 8.362 1.00 1.93 N ATOM 0 H LYS A 65 -4.216 -5.126 7.311 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.756 -5.380 8.588 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.982 -6.871 8.185 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.975 -7.577 6.937 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.687 -7.255 9.582 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.022 -8.389 9.526 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.640 -8.443 7.632 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.783 -9.432 9.072 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.678 -9.478 6.688 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.455 -10.681 7.046 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -3.430 -11.559 7.875 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.653 -10.955 9.259 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -3.931 -10.087 8.556 1.00 1.93 H new ATOM 245 N LEU A 66 -1.691 -6.113 5.379 1.00 0.11 N ATOM 246 CA LEU A 66 -0.821 -6.241 4.216 1.00 0.10 C ATOM 247 C LEU A 66 0.062 -5.013 4.089 1.00 0.08 C ATOM 248 O LEU A 66 1.264 -5.123 3.854 1.00 0.08 O ATOM 249 CB LEU A 66 -1.644 -6.409 2.938 1.00 0.10 C ATOM 250 CG LEU A 66 -2.430 -7.714 2.806 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.257 -7.691 1.535 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.483 -8.900 2.802 1.00 0.17 C ATOM 0 H LEU A 66 -2.681 -6.248 5.175 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.199 -7.126 4.353 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.346 -5.578 2.872 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.971 -6.327 2.084 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.101 -7.813 3.660 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.815 -8.623 1.447 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.954 -6.853 1.569 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.598 -7.580 0.674 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.056 -9.823 2.708 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.794 -8.813 1.962 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.918 -8.918 3.734 1.00 0.17 H new ATOM 264 N PHE A 67 -0.544 -3.846 4.261 1.00 0.07 N ATOM 265 CA PHE A 67 0.185 -2.597 4.253 1.00 0.06 C ATOM 266 C PHE A 67 1.287 -2.610 5.302 1.00 0.06 C ATOM 267 O PHE A 67 2.431 -2.290 5.004 1.00 0.07 O ATOM 268 CB PHE A 67 -0.757 -1.423 4.509 1.00 0.08 C ATOM 269 CG PHE A 67 -0.043 -0.114 4.525 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.769 0.231 3.469 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.170 0.757 5.592 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.454 1.432 3.468 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.506 1.958 5.598 1.00 0.12 C ATOM 274 CZ PHE A 67 1.319 2.293 4.533 1.00 0.09 C ATOM 0 H PHE A 67 -1.548 -3.744 4.409 1.00 0.07 H new ATOM 0 HA PHE A 67 0.638 -2.479 3.269 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.527 -1.404 3.738 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.264 -1.569 5.463 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.872 -0.444 2.632 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.803 0.494 6.426 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.091 1.693 2.636 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.400 2.635 6.433 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.850 3.233 4.536 1.00 0.09 H new ATOM 284 N GLU A 68 0.933 -2.981 6.526 1.00 0.08 N ATOM 285 CA GLU A 68 1.909 -3.067 7.607 1.00 0.09 C ATOM 286 C GLU A 68 2.985 -4.071 7.258 1.00 0.10 C ATOM 287 O GLU A 68 4.158 -3.812 7.454 1.00 0.12 O ATOM 288 CB GLU A 68 1.254 -3.484 8.924 1.00 0.14 C ATOM 289 CG GLU A 68 -0.028 -2.746 9.222 1.00 0.21 C ATOM 290 CD GLU A 68 -0.587 -3.045 10.596 1.00 0.87 C ATOM 291 OE1 GLU A 68 -0.700 -4.238 10.949 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.902 -2.091 11.337 1.00 1.19 O ATOM 0 H GLU A 68 -0.020 -3.227 6.795 1.00 0.08 H new ATOM 0 HA GLU A 68 2.345 -2.076 7.732 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.049 -4.554 8.895 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.958 -3.316 9.739 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.150 -1.674 9.135 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.772 -3.007 8.470 1.00 0.21 H new ATOM 299 N GLU A 69 2.579 -5.203 6.710 1.00 0.10 N ATOM 300 CA GLU A 69 3.515 -6.254 6.335 1.00 0.12 C ATOM 301 C GLU A 69 4.527 -5.726 5.339 1.00 0.11 C ATOM 302 O GLU A 69 5.706 -6.078 5.376 1.00 0.14 O ATOM 303 CB GLU A 69 2.761 -7.423 5.724 1.00 0.15 C ATOM 304 CG GLU A 69 1.957 -8.214 6.730 1.00 0.25 C ATOM 305 CD GLU A 69 2.808 -9.199 7.505 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.618 -9.917 6.875 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.655 -9.285 8.743 1.00 1.21 O ATOM 0 H GLU A 69 1.602 -5.421 6.513 1.00 0.10 H new ATOM 0 HA GLU A 69 4.040 -6.589 7.229 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.092 -7.048 4.950 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.473 -8.089 5.235 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.476 -7.527 7.427 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.163 -8.753 6.213 1.00 0.25 H new ATOM 314 N PHE A 70 4.052 -4.862 4.464 1.00 0.09 N ATOM 315 CA PHE A 70 4.870 -4.267 3.454 1.00 0.09 C ATOM 316 C PHE A 70 5.693 -3.144 4.080 1.00 0.08 C ATOM 317 O PHE A 70 6.869 -2.966 3.774 1.00 0.10 O ATOM 318 CB PHE A 70 3.968 -3.750 2.343 1.00 0.09 C ATOM 319 CG PHE A 70 4.689 -3.122 1.204 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.063 -1.806 1.286 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.973 -3.834 0.052 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.713 -1.193 0.243 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.629 -3.229 -1.000 1.00 0.13 C ATOM 324 CZ PHE A 70 5.999 -1.903 -0.905 1.00 0.13 C ATOM 0 H PHE A 70 3.079 -4.558 4.443 1.00 0.09 H new ATOM 0 HA PHE A 70 5.561 -4.994 3.028 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.368 -4.578 1.965 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.276 -3.021 2.764 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.844 -1.244 2.182 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.679 -4.870 -0.024 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.000 -0.155 0.321 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.852 -3.791 -1.895 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.510 -1.423 -1.726 1.00 0.13 H new ATOM 334 N LEU A 71 5.044 -2.383 4.957 1.00 0.07 N ATOM 335 CA LEU A 71 5.686 -1.319 5.702 1.00 0.08 C ATOM 336 C LEU A 71 6.849 -1.831 6.549 1.00 0.08 C ATOM 337 O LEU A 71 7.965 -1.323 6.454 1.00 0.09 O ATOM 338 CB LEU A 71 4.663 -0.610 6.582 1.00 0.09 C ATOM 339 CG LEU A 71 4.121 0.682 5.988 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.601 1.610 7.057 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.201 1.367 5.200 1.00 0.10 C ATOM 0 H LEU A 71 4.052 -2.493 5.168 1.00 0.07 H new ATOM 0 HA LEU A 71 6.098 -0.613 4.981 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.830 -1.288 6.771 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.120 -0.390 7.547 1.00 0.09 H new ATOM 0 HG LEU A 71 3.288 0.428 5.333 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.222 2.522 6.595 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.796 1.120 7.605 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.408 1.861 7.745 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.811 2.292 4.776 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.041 1.595 5.856 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.536 0.712 4.396 1.00 0.10 H new ATOM 353 N GLU A 72 6.567 -2.820 7.392 1.00 0.08 N ATOM 354 CA GLU A 72 7.598 -3.487 8.198 1.00 0.11 C ATOM 355 C GLU A 72 8.728 -3.955 7.303 1.00 0.09 C ATOM 356 O GLU A 72 9.905 -3.769 7.606 1.00 0.12 O ATOM 357 CB GLU A 72 7.022 -4.700 8.928 1.00 0.19 C ATOM 358 CG GLU A 72 5.790 -4.382 9.732 1.00 0.26 C ATOM 359 CD GLU A 72 6.069 -3.525 10.943 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.380 -4.086 12.010 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.963 -2.289 10.842 1.00 1.13 O ATOM 0 H GLU A 72 5.625 -3.184 7.539 1.00 0.08 H new ATOM 0 HA GLU A 72 7.967 -2.769 8.931 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.782 -5.474 8.199 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.783 -5.112 9.590 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.070 -3.871 9.093 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.325 -5.314 10.055 1.00 0.26 H new ATOM 368 N LEU A 73 8.337 -4.576 6.200 1.00 0.10 N ATOM 369 CA LEU A 73 9.270 -5.000 5.168 1.00 0.11 C ATOM 370 C LEU A 73 10.149 -3.841 4.749 1.00 0.10 C ATOM 371 O LEU A 73 11.367 -3.947 4.773 1.00 0.12 O ATOM 372 CB LEU A 73 8.493 -5.520 3.958 1.00 0.14 C ATOM 373 CG LEU A 73 9.337 -5.940 2.756 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.955 -7.304 2.982 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.493 -5.929 1.494 1.00 0.46 C ATOM 0 H LEU A 73 7.363 -4.800 5.996 1.00 0.10 H new ATOM 0 HA LEU A 73 9.901 -5.795 5.566 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.895 -6.374 4.274 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.797 -4.745 3.636 1.00 0.14 H new ATOM 0 HG LEU A 73 10.149 -5.223 2.634 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.551 -7.582 2.113 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.593 -7.272 3.865 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.166 -8.041 3.131 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.105 -6.230 0.644 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.661 -6.625 1.606 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.105 -4.924 1.324 1.00 0.46 H new ATOM 387 N CYS A 74 9.526 -2.728 4.396 1.00 0.09 N ATOM 388 CA CYS A 74 10.268 -1.545 3.987 1.00 0.10 C ATOM 389 C CYS A 74 11.241 -1.118 5.080 1.00 0.11 C ATOM 390 O CYS A 74 12.401 -0.858 4.799 1.00 0.14 O ATOM 391 CB CYS A 74 9.319 -0.406 3.638 1.00 0.10 C ATOM 392 SG CYS A 74 8.229 -0.782 2.255 1.00 0.11 S ATOM 0 H CYS A 74 8.512 -2.618 4.384 1.00 0.09 H new ATOM 0 HA CYS A 74 10.842 -1.794 3.095 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.714 -0.166 4.513 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.903 0.483 3.400 1.00 0.10 H new ATOM 0 HG CYS A 74 7.409 -1.732 2.594 1.00 0.11 H new ATOM 398 N LYS A 75 10.792 -1.115 6.333 1.00 0.11 N ATOM 399 CA LYS A 75 11.655 -0.752 7.454 1.00 0.12 C ATOM 400 C LYS A 75 12.884 -1.657 7.508 1.00 0.13 C ATOM 401 O LYS A 75 13.912 -1.301 8.086 1.00 0.16 O ATOM 402 CB LYS A 75 10.880 -0.869 8.762 1.00 0.13 C ATOM 403 CG LYS A 75 9.655 0.008 8.833 1.00 0.18 C ATOM 404 CD LYS A 75 8.851 -0.315 10.070 1.00 0.20 C ATOM 405 CE LYS A 75 7.573 0.492 10.128 1.00 0.30 C ATOM 406 NZ LYS A 75 6.778 0.172 11.341 1.00 0.32 N ATOM 0 H LYS A 75 9.838 -1.359 6.597 1.00 0.11 H new ATOM 0 HA LYS A 75 11.985 0.277 7.313 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.579 -1.907 8.902 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.543 -0.616 9.589 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.951 1.057 8.847 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.042 -0.139 7.944 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.612 -1.378 10.082 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.450 -0.113 10.958 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.813 1.555 10.120 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.976 0.293 9.238 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.838 0.611 11.266 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.673 -0.859 11.425 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.266 0.540 12.183 1.00 0.32 H new ATOM 420 N MET A 76 12.764 -2.828 6.900 1.00 0.12 N ATOM 421 CA MET A 76 13.839 -3.804 6.876 1.00 0.13 C ATOM 422 C MET A 76 14.804 -3.551 5.717 1.00 0.14 C ATOM 423 O MET A 76 16.009 -3.744 5.858 1.00 0.16 O ATOM 424 CB MET A 76 13.255 -5.220 6.778 1.00 0.14 C ATOM 425 CG MET A 76 12.438 -5.621 7.991 1.00 0.15 C ATOM 426 SD MET A 76 12.093 -7.393 8.056 1.00 0.21 S ATOM 427 CE MET A 76 11.011 -7.586 6.645 1.00 0.40 C ATOM 0 H MET A 76 11.920 -3.126 6.411 1.00 0.12 H new ATOM 0 HA MET A 76 14.403 -3.706 7.804 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.628 -5.285 5.889 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.069 -5.932 6.646 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.972 -5.327 8.895 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.496 -5.073 7.985 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.799 -8.644 6.491 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.079 -7.051 6.826 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.495 -7.180 5.757 1.00 0.40 H new ATOM 437 N GLN A 77 14.280 -3.125 4.571 1.00 0.14 N ATOM 438 CA GLN A 77 15.092 -2.997 3.367 1.00 0.15 C ATOM 439 C GLN A 77 15.368 -1.549 2.941 1.00 0.16 C ATOM 440 O GLN A 77 16.311 -1.305 2.193 1.00 0.22 O ATOM 441 CB GLN A 77 14.421 -3.738 2.210 1.00 0.19 C ATOM 442 CG GLN A 77 13.025 -4.245 2.506 1.00 0.21 C ATOM 443 CD GLN A 77 12.824 -5.678 2.083 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.451 -5.962 0.950 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.048 -6.586 3.014 1.00 0.25 N ATOM 0 H GLN A 77 13.301 -2.864 4.452 1.00 0.14 H new ATOM 0 HA GLN A 77 16.058 -3.437 3.614 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.376 -3.072 1.348 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.047 -4.584 1.927 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.829 -4.155 3.575 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.298 -3.614 1.995 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.358 -6.299 3.942 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.912 -7.575 2.805 1.00 0.25 H new ATOM 454 N THR A 78 14.583 -0.591 3.409 1.00 0.17 N ATOM 455 CA THR A 78 14.709 0.779 2.919 1.00 0.22 C ATOM 456 C THR A 78 15.514 1.627 3.888 1.00 0.30 C ATOM 457 O THR A 78 15.124 2.740 4.219 1.00 0.32 O ATOM 458 CB THR A 78 13.338 1.467 2.684 1.00 0.17 C ATOM 459 OG1 THR A 78 12.633 1.629 3.921 1.00 0.14 O ATOM 460 CG2 THR A 78 12.475 0.678 1.713 1.00 0.22 C ATOM 0 H THR A 78 13.862 -0.730 4.117 1.00 0.17 H new ATOM 0 HA THR A 78 15.222 0.705 1.960 1.00 0.22 H new ATOM 0 HB THR A 78 13.541 2.446 2.251 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.766 0.835 4.480 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.523 1.190 1.573 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.987 0.596 0.754 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.295 -0.319 2.114 1.00 0.22 H new ATOM 468 N ALA A 79 16.623 1.092 4.371 1.00 0.38 N ATOM 469 CA ALA A 79 17.501 1.821 5.274 1.00 0.50 C ATOM 470 C ALA A 79 17.894 3.194 4.739 1.00 0.52 C ATOM 471 O ALA A 79 18.000 4.160 5.497 1.00 0.55 O ATOM 472 CB ALA A 79 18.741 0.999 5.520 1.00 0.67 C ATOM 0 H ALA A 79 16.939 0.148 4.151 1.00 0.38 H new ATOM 0 HA ALA A 79 16.954 1.988 6.202 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.406 1.537 6.196 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.462 0.045 5.968 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.252 0.820 4.574 1.00 0.67 H new ATOM 478 N ASP A 80 18.121 3.277 3.438 1.00 0.53 N ATOM 479 CA ASP A 80 18.535 4.534 2.827 1.00 0.57 C ATOM 480 C ASP A 80 17.336 5.442 2.585 1.00 0.52 C ATOM 481 O ASP A 80 17.486 6.614 2.238 1.00 0.57 O ATOM 482 CB ASP A 80 19.294 4.286 1.521 1.00 0.65 C ATOM 483 CG ASP A 80 18.409 3.880 0.360 1.00 1.21 C ATOM 484 OD1 ASP A 80 17.718 2.850 0.475 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.379 4.596 -0.657 1.00 1.46 O ATOM 0 H ASP A 80 18.027 2.497 2.787 1.00 0.53 H new ATOM 0 HA ASP A 80 19.209 5.036 3.521 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.837 5.192 1.251 1.00 0.65 H new ATOM 0 HB3 ASP A 80 20.037 3.506 1.687 1.00 0.65 H new ATOM 490 N HIS A 81 16.147 4.889 2.775 1.00 0.43 N ATOM 491 CA HIS A 81 14.909 5.662 2.672 1.00 0.38 C ATOM 492 C HIS A 81 13.939 5.326 3.795 1.00 0.29 C ATOM 493 O HIS A 81 12.885 4.738 3.558 1.00 0.23 O ATOM 494 CB HIS A 81 14.216 5.440 1.324 1.00 0.41 C ATOM 495 CG HIS A 81 14.801 6.257 0.216 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.899 6.062 -0.547 1.00 0.99 N flip ATOM 497 CD2 HIS A 81 14.238 7.438 -0.223 1.00 0.70 C flip ATOM 498 CE1 HIS A 81 15.976 7.110 -1.430 1.00 1.08 C flip ATOM 499 NE2 HIS A 81 14.962 7.926 -1.212 1.00 0.86 N flip ATOM 0 H HIS A 81 16.009 3.904 3.002 1.00 0.43 H new ATOM 0 HA HIS A 81 15.195 6.710 2.756 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.280 4.384 1.060 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.158 5.680 1.424 1.00 0.41 H new ATOM 0 HD1 HIS A 81 16.551 5.280 -0.479 1.00 0.99 H new ATOM 0 HD2 HIS A 81 13.345 7.892 0.180 1.00 0.70 H new ATOM 0 HE1 HIS A 81 16.741 7.245 -2.180 1.00 1.08 H new ATOM 508 N PRO A 82 14.266 5.704 5.037 1.00 0.32 N ATOM 509 CA PRO A 82 13.377 5.484 6.171 1.00 0.29 C ATOM 510 C PRO A 82 12.142 6.373 6.090 1.00 0.26 C ATOM 511 O PRO A 82 11.161 6.158 6.796 1.00 0.29 O ATOM 512 CB PRO A 82 14.232 5.840 7.381 1.00 0.38 C ATOM 513 CG PRO A 82 15.292 6.745 6.870 1.00 0.44 C ATOM 514 CD PRO A 82 15.520 6.368 5.436 1.00 0.41 C ATOM 0 HA PRO A 82 12.997 4.463 6.210 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.636 6.330 8.151 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.664 4.947 7.832 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.985 7.788 6.953 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.208 6.636 7.450 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.721 7.245 4.820 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.376 5.701 5.330 1.00 0.41 H new ATOM 522 N GLU A 83 12.208 7.365 5.207 1.00 0.23 N ATOM 523 CA GLU A 83 11.090 8.269 4.940 1.00 0.21 C ATOM 524 C GLU A 83 10.010 7.559 4.134 1.00 0.17 C ATOM 525 O GLU A 83 8.868 8.008 4.063 1.00 0.18 O ATOM 526 CB GLU A 83 11.583 9.474 4.149 1.00 0.28 C ATOM 527 CG GLU A 83 11.614 9.206 2.658 1.00 0.46 C ATOM 528 CD GLU A 83 12.314 10.283 1.861 1.00 0.55 C ATOM 529 OE1 GLU A 83 11.679 11.314 1.550 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.501 10.087 1.528 1.00 0.95 O ATOM 0 H GLU A 83 13.041 7.567 4.654 1.00 0.23 H new ATOM 0 HA GLU A 83 10.672 8.592 5.894 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.936 10.328 4.350 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.583 9.745 4.489 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.112 8.253 2.479 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.591 9.104 2.295 1.00 0.46 H new ATOM 537 N VAL A 84 10.396 6.455 3.521 1.00 0.15 N ATOM 538 CA VAL A 84 9.526 5.713 2.642 1.00 0.14 C ATOM 539 C VAL A 84 8.328 5.155 3.390 1.00 0.11 C ATOM 540 O VAL A 84 7.221 5.151 2.875 1.00 0.11 O ATOM 541 CB VAL A 84 10.330 4.605 1.936 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.531 3.344 1.759 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.837 5.107 0.599 1.00 0.21 C ATOM 0 H VAL A 84 11.327 6.050 3.623 1.00 0.15 H new ATOM 0 HA VAL A 84 9.130 6.388 1.883 1.00 0.14 H new ATOM 0 HB VAL A 84 11.177 4.355 2.574 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.142 2.594 1.257 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.224 2.968 2.735 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.647 3.555 1.157 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.405 4.318 0.106 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.991 5.392 -0.027 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.480 5.973 0.756 1.00 0.21 H new ATOM 553 N VAL A 85 8.556 4.705 4.608 1.00 0.09 N ATOM 554 CA VAL A 85 7.487 4.208 5.440 1.00 0.09 C ATOM 555 C VAL A 85 6.481 5.304 5.791 1.00 0.10 C ATOM 556 O VAL A 85 5.295 5.127 5.570 1.00 0.10 O ATOM 557 CB VAL A 85 8.049 3.548 6.697 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.953 3.302 7.707 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.763 2.271 6.304 1.00 0.11 C ATOM 0 H VAL A 85 9.479 4.675 5.042 1.00 0.09 H new ATOM 0 HA VAL A 85 6.946 3.453 4.869 1.00 0.09 H new ATOM 0 HB VAL A 85 8.769 4.212 7.176 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.375 2.831 8.595 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.493 4.251 7.983 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.198 2.646 7.273 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.168 1.792 7.195 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.059 1.596 5.817 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.576 2.505 5.617 1.00 0.11 H new ATOM 569 N PRO A 86 6.928 6.433 6.361 1.00 0.12 N ATOM 570 CA PRO A 86 6.078 7.603 6.550 1.00 0.14 C ATOM 571 C PRO A 86 5.342 7.989 5.268 1.00 0.14 C ATOM 572 O PRO A 86 4.141 8.207 5.293 1.00 0.18 O ATOM 573 CB PRO A 86 7.031 8.721 6.959 1.00 0.18 C ATOM 574 CG PRO A 86 8.353 8.084 7.233 1.00 0.18 C ATOM 575 CD PRO A 86 8.262 6.618 6.916 1.00 0.14 C ATOM 0 HA PRO A 86 5.306 7.408 7.295 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.117 9.464 6.166 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.661 9.240 7.844 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.130 8.553 6.629 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.631 8.227 8.277 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.031 6.320 6.203 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.405 6.011 7.810 1.00 0.14 H new ATOM 583 N PHE A 87 6.070 8.047 4.149 1.00 0.13 N ATOM 584 CA PHE A 87 5.493 8.357 2.843 1.00 0.14 C ATOM 585 C PHE A 87 4.445 7.320 2.467 1.00 0.12 C ATOM 586 O PHE A 87 3.407 7.639 1.886 1.00 0.12 O ATOM 587 CB PHE A 87 6.616 8.367 1.797 1.00 0.18 C ATOM 588 CG PHE A 87 6.248 8.948 0.461 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.990 9.460 0.234 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.180 8.993 -0.561 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.658 10.010 -0.987 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.859 9.536 -1.787 1.00 1.01 C ATOM 593 CZ PHE A 87 5.596 10.047 -2.003 1.00 0.69 C ATOM 0 H PHE A 87 7.076 7.880 4.126 1.00 0.13 H new ATOM 0 HA PHE A 87 5.011 9.334 2.881 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.459 8.929 2.199 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.959 7.343 1.647 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.253 9.431 1.023 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.171 8.598 -0.396 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.668 10.411 -1.149 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.595 9.561 -2.577 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.341 10.474 -2.961 1.00 0.69 H new ATOM 603 N LEU A 88 4.698 6.095 2.871 1.00 0.10 N ATOM 604 CA LEU A 88 3.822 4.995 2.562 1.00 0.09 C ATOM 605 C LEU A 88 2.600 5.121 3.422 1.00 0.08 C ATOM 606 O LEU A 88 1.460 5.073 2.955 1.00 0.09 O ATOM 607 CB LEU A 88 4.519 3.686 2.890 1.00 0.09 C ATOM 608 CG LEU A 88 5.032 2.898 1.705 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.866 1.736 2.181 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.878 2.397 0.870 1.00 0.10 C ATOM 0 H LEU A 88 5.517 5.837 3.422 1.00 0.10 H new ATOM 0 HA LEU A 88 3.556 5.010 1.505 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.359 3.899 3.551 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.825 3.057 3.448 1.00 0.09 H new ATOM 0 HG LEU A 88 5.651 3.552 1.091 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.231 1.174 1.321 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.713 2.108 2.758 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.258 1.085 2.808 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.262 1.832 0.021 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.242 1.753 1.477 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.296 3.244 0.508 1.00 0.10 H new ATOM 622 N TYR A 89 2.887 5.315 4.697 1.00 0.08 N ATOM 623 CA TYR A 89 1.898 5.433 5.722 1.00 0.09 C ATOM 624 C TYR A 89 0.960 6.574 5.401 1.00 0.09 C ATOM 625 O TYR A 89 -0.249 6.428 5.413 1.00 0.11 O ATOM 626 CB TYR A 89 2.609 5.729 7.041 1.00 0.10 C ATOM 627 CG TYR A 89 2.303 4.752 8.117 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.017 4.317 8.290 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.289 4.276 8.958 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.694 3.425 9.271 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.991 3.377 9.952 1.00 0.20 C ATOM 632 CZ TYR A 89 1.685 2.949 10.111 1.00 0.22 C ATOM 633 OH TYR A 89 1.380 2.050 11.108 1.00 0.27 O ATOM 0 H TYR A 89 3.843 5.395 5.044 1.00 0.08 H new ATOM 0 HA TYR A 89 1.325 4.509 5.792 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.685 5.741 6.869 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.329 6.727 7.378 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.241 4.688 7.636 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.307 4.615 8.833 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.327 3.093 9.391 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.769 3.007 10.604 1.00 0.20 H new ATOM 0 HH TYR A 89 2.195 1.821 11.602 1.00 0.27 H new ATOM 643 N ASN A 90 1.572 7.699 5.094 1.00 0.09 N ATOM 644 CA ASN A 90 0.892 8.922 4.726 1.00 0.09 C ATOM 645 C ASN A 90 -0.049 8.692 3.570 1.00 0.09 C ATOM 646 O ASN A 90 -1.240 8.961 3.682 1.00 0.10 O ATOM 647 CB ASN A 90 1.965 9.936 4.356 1.00 0.11 C ATOM 648 CG ASN A 90 1.455 11.135 3.615 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.810 12.011 4.183 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.799 11.191 2.342 1.00 0.40 N ATOM 0 H ASN A 90 2.588 7.789 5.094 1.00 0.09 H new ATOM 0 HA ASN A 90 0.286 9.286 5.556 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.461 10.271 5.267 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.720 9.441 3.746 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.528 11.994 1.775 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.336 10.431 1.925 1.00 0.40 H new ATOM 657 N ARG A 91 0.486 8.169 2.477 1.00 0.08 N ATOM 658 CA ARG A 91 -0.313 7.865 1.298 1.00 0.10 C ATOM 659 C ARG A 91 -1.521 7.020 1.670 1.00 0.09 C ATOM 660 O ARG A 91 -2.636 7.282 1.226 1.00 0.11 O ATOM 661 CB ARG A 91 0.528 7.107 0.271 1.00 0.13 C ATOM 662 CG ARG A 91 1.468 7.982 -0.529 1.00 0.16 C ATOM 663 CD ARG A 91 0.698 8.930 -1.426 1.00 0.29 C ATOM 664 NE ARG A 91 1.590 9.823 -2.162 1.00 0.88 N ATOM 665 CZ ARG A 91 1.313 11.093 -2.447 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.147 11.615 -2.088 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.200 11.837 -3.103 1.00 1.64 N ATOM 0 H ARG A 91 1.476 7.945 2.381 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.653 8.808 0.870 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.111 6.344 0.787 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.140 6.587 -0.416 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.104 8.552 0.148 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.126 7.357 -1.134 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.096 8.356 -2.130 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.008 9.521 -0.824 1.00 0.29 H new ATOM 0 HE ARG A 91 2.484 9.448 -2.478 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.537 11.043 -1.593 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.065 12.588 -2.307 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.093 11.434 -3.388 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.987 12.810 -3.321 1.00 1.64 H new ATOM 681 N GLN A 92 -1.280 6.020 2.493 1.00 0.09 N ATOM 682 CA GLN A 92 -2.312 5.085 2.892 1.00 0.12 C ATOM 683 C GLN A 92 -3.304 5.748 3.839 1.00 0.11 C ATOM 684 O GLN A 92 -4.514 5.644 3.662 1.00 0.13 O ATOM 685 CB GLN A 92 -1.651 3.875 3.546 1.00 0.18 C ATOM 686 CG GLN A 92 -2.443 2.599 3.393 1.00 0.35 C ATOM 687 CD GLN A 92 -3.355 2.308 4.563 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.802 3.202 5.275 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.633 1.040 4.751 1.00 0.36 N ATOM 0 H GLN A 92 -0.365 5.833 2.903 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.871 4.759 2.015 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.661 3.733 3.112 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.507 4.079 4.607 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.041 2.659 2.484 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.752 1.766 3.266 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.236 0.334 4.131 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.246 0.760 5.517 1.00 0.36 H new ATOM 698 N GLN A 93 -2.772 6.463 4.816 1.00 0.12 N ATOM 699 CA GLN A 93 -3.581 7.151 5.814 1.00 0.14 C ATOM 700 C GLN A 93 -4.499 8.192 5.164 1.00 0.16 C ATOM 701 O GLN A 93 -5.604 8.446 5.642 1.00 0.20 O ATOM 702 CB GLN A 93 -2.674 7.832 6.848 1.00 0.15 C ATOM 703 CG GLN A 93 -2.027 6.877 7.838 1.00 0.15 C ATOM 704 CD GLN A 93 -3.006 5.901 8.455 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.661 6.200 9.454 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.069 4.708 7.892 1.00 0.22 N ATOM 0 H GLN A 93 -1.767 6.584 4.942 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.205 6.408 6.311 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.890 8.378 6.323 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.260 8.567 7.400 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.239 6.319 7.332 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.551 7.454 8.631 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.508 4.504 7.065 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.679 3.990 8.284 1.00 0.22 H new ATOM 715 N ARG A 94 -4.023 8.800 4.082 1.00 0.14 N ATOM 716 CA ARG A 94 -4.781 9.832 3.385 1.00 0.15 C ATOM 717 C ARG A 94 -5.524 9.275 2.172 1.00 0.14 C ATOM 718 O ARG A 94 -6.164 10.017 1.415 1.00 0.19 O ATOM 719 CB ARG A 94 -3.838 10.958 2.990 1.00 0.21 C ATOM 720 CG ARG A 94 -2.840 10.591 1.915 1.00 0.76 C ATOM 721 CD ARG A 94 -1.651 11.539 1.926 1.00 0.64 C ATOM 722 NE ARG A 94 -2.064 12.927 1.676 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.734 13.974 2.440 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.969 13.817 3.509 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.165 15.189 2.121 1.00 1.40 N ATOM 0 H ARG A 94 -3.113 8.595 3.668 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.545 10.220 4.058 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.429 11.806 2.645 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.295 11.288 3.876 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.495 9.568 2.068 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.324 10.621 0.939 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.145 11.477 2.889 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.932 11.230 1.167 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.646 13.105 0.858 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.624 12.890 3.758 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.724 14.623 4.084 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.747 15.323 1.294 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.914 15.988 2.703 1.00 1.40 H new ATOM 739 N ALA A 95 -5.429 7.969 1.996 1.00 0.12 N ATOM 740 CA ALA A 95 -6.163 7.268 0.941 1.00 0.12 C ATOM 741 C ALA A 95 -7.637 7.132 1.302 1.00 0.13 C ATOM 742 O ALA A 95 -8.038 7.418 2.431 1.00 0.17 O ATOM 743 CB ALA A 95 -5.574 5.884 0.704 1.00 0.13 C ATOM 0 H ALA A 95 -4.847 7.362 2.573 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.073 7.858 0.029 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.134 5.380 -0.084 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.531 5.979 0.403 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.635 5.300 1.623 1.00 0.13 H new ATOM 749 N HIS A 96 -8.442 6.708 0.336 1.00 0.12 N ATOM 750 CA HIS A 96 -9.858 6.473 0.564 1.00 0.13 C ATOM 751 C HIS A 96 -10.044 5.239 1.415 1.00 0.13 C ATOM 752 O HIS A 96 -9.634 4.151 1.025 1.00 0.12 O ATOM 753 CB HIS A 96 -10.574 6.264 -0.766 1.00 0.14 C ATOM 754 CG HIS A 96 -12.020 6.647 -0.735 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.867 6.159 0.225 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.705 7.484 -1.549 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.044 6.704 -0.023 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.994 7.515 -1.088 1.00 0.25 N ATOM 0 H HIS A 96 -8.134 6.519 -0.618 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.276 7.341 1.074 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.069 6.847 -1.536 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.491 5.216 -1.053 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.311 8.023 -2.398 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.935 6.519 0.559 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.767 8.052 -1.480 1.00 0.25 H new ATOM 766 N SER A 97 -10.651 5.417 2.581 1.00 0.16 N ATOM 767 CA SER A 97 -10.941 4.308 3.472 1.00 0.20 C ATOM 768 C SER A 97 -11.736 3.208 2.762 1.00 0.18 C ATOM 769 O SER A 97 -11.560 2.031 3.058 1.00 0.18 O ATOM 770 CB SER A 97 -11.707 4.812 4.696 1.00 0.29 C ATOM 771 OG SER A 97 -11.054 5.932 5.275 1.00 1.32 O ATOM 0 H SER A 97 -10.953 6.326 2.931 1.00 0.16 H new ATOM 0 HA SER A 97 -9.993 3.874 3.792 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.722 5.086 4.408 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.790 4.013 5.433 1.00 0.29 H new ATOM 0 HG SER A 97 -11.561 6.239 6.055 1.00 1.32 H new ATOM 777 N LEU A 98 -12.614 3.588 1.831 1.00 0.18 N ATOM 778 CA LEU A 98 -13.322 2.610 1.009 1.00 0.18 C ATOM 779 C LEU A 98 -12.358 1.789 0.185 1.00 0.15 C ATOM 780 O LEU A 98 -12.505 0.583 0.055 1.00 0.18 O ATOM 781 CB LEU A 98 -14.272 3.301 0.058 1.00 0.21 C ATOM 782 CG LEU A 98 -15.610 3.711 0.642 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.495 4.242 -0.466 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.275 2.540 1.349 1.00 0.61 C ATOM 0 H LEU A 98 -12.849 4.560 1.630 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.872 1.961 1.690 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.780 4.191 -0.334 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.454 2.639 -0.788 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.452 4.495 1.383 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.459 4.538 -0.052 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.019 5.106 -0.930 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.646 3.465 -1.215 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.233 2.859 1.759 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.437 1.730 0.638 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.632 2.190 2.157 1.00 0.61 H new ATOM 796 N PHE A 99 -11.376 2.468 -0.364 1.00 0.12 N ATOM 797 CA PHE A 99 -10.367 1.820 -1.185 1.00 0.11 C ATOM 798 C PHE A 99 -9.472 0.955 -0.314 1.00 0.11 C ATOM 799 O PHE A 99 -9.132 -0.169 -0.678 1.00 0.12 O ATOM 800 CB PHE A 99 -9.537 2.844 -1.947 1.00 0.12 C ATOM 801 CG PHE A 99 -8.315 2.247 -2.570 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.436 1.380 -3.632 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.050 2.566 -2.107 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.322 0.831 -4.229 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.926 2.021 -2.698 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.038 1.126 -3.687 1.00 0.18 C ATOM 0 H PHE A 99 -11.251 3.475 -0.258 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.872 1.190 -1.917 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.152 3.298 -2.724 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.240 3.643 -1.268 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.418 1.126 -4.003 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.941 3.247 -1.276 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.420 0.189 -5.092 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.946 2.321 -2.358 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.159 0.630 -4.072 1.00 0.18 H new ATOM 816 N LEU A 100 -9.109 1.490 0.845 1.00 0.12 N ATOM 817 CA LEU A 100 -8.320 0.760 1.826 1.00 0.14 C ATOM 818 C LEU A 100 -9.079 -0.460 2.317 1.00 0.16 C ATOM 819 O LEU A 100 -8.490 -1.446 2.735 1.00 0.21 O ATOM 820 CB LEU A 100 -7.987 1.679 2.996 1.00 0.17 C ATOM 821 CG LEU A 100 -7.293 2.973 2.605 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.364 3.980 3.739 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.856 2.685 2.229 1.00 0.22 C ATOM 0 H LEU A 100 -9.353 2.439 1.130 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.395 0.422 1.358 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.909 1.922 3.524 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.351 1.138 3.697 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.802 3.405 1.743 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.862 4.900 3.440 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.407 4.195 3.970 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.874 3.569 4.622 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.360 3.614 1.949 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.340 2.240 3.080 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.832 1.993 1.387 1.00 0.22 H new ATOM 835 N ALA A 101 -10.397 -0.386 2.270 1.00 0.16 N ATOM 836 CA ALA A 101 -11.232 -1.522 2.621 1.00 0.19 C ATOM 837 C ALA A 101 -11.708 -2.274 1.381 1.00 0.21 C ATOM 838 O ALA A 101 -12.475 -3.234 1.492 1.00 0.37 O ATOM 839 CB ALA A 101 -12.428 -1.062 3.440 1.00 0.23 C ATOM 0 H ALA A 101 -10.913 0.449 1.992 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.627 -2.206 3.217 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.046 -1.923 3.697 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.080 -0.580 4.353 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.017 -0.353 2.858 1.00 0.23 H new ATOM 845 N SER A 102 -11.237 -1.870 0.205 1.00 0.13 N ATOM 846 CA SER A 102 -11.726 -2.461 -1.032 1.00 0.15 C ATOM 847 C SER A 102 -10.814 -3.576 -1.508 1.00 0.17 C ATOM 848 O SER A 102 -9.650 -3.686 -1.104 1.00 0.25 O ATOM 849 CB SER A 102 -11.868 -1.417 -2.137 1.00 0.18 C ATOM 850 OG SER A 102 -12.774 -1.845 -3.144 1.00 1.40 O ATOM 0 H SER A 102 -10.528 -1.147 0.085 1.00 0.13 H new ATOM 0 HA SER A 102 -12.710 -2.875 -0.813 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.216 -0.477 -1.709 1.00 0.18 H new ATOM 0 HB3 SER A 102 -10.892 -1.222 -2.583 1.00 0.18 H new ATOM 0 HG SER A 102 -12.844 -1.154 -3.836 1.00 1.40 H new ATOM 856 N ALA A 103 -11.375 -4.395 -2.370 1.00 0.20 N ATOM 857 CA ALA A 103 -10.681 -5.507 -2.982 1.00 0.21 C ATOM 858 C ALA A 103 -9.427 -5.061 -3.724 1.00 0.18 C ATOM 859 O ALA A 103 -8.399 -5.735 -3.677 1.00 0.19 O ATOM 860 CB ALA A 103 -11.626 -6.180 -3.944 1.00 0.27 C ATOM 0 H ALA A 103 -12.345 -4.305 -2.671 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.364 -6.194 -2.197 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.123 -7.023 -4.418 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.502 -6.538 -3.403 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.937 -5.467 -4.707 1.00 0.27 H new ATOM 866 N GLU A 104 -9.521 -3.931 -4.417 1.00 0.17 N ATOM 867 CA GLU A 104 -8.422 -3.461 -5.259 1.00 0.17 C ATOM 868 C GLU A 104 -7.134 -3.264 -4.471 1.00 0.14 C ATOM 869 O GLU A 104 -6.064 -3.643 -4.936 1.00 0.14 O ATOM 870 CB GLU A 104 -8.778 -2.172 -5.968 1.00 0.22 C ATOM 871 CG GLU A 104 -7.901 -1.927 -7.176 1.00 0.30 C ATOM 872 CD GLU A 104 -8.254 -0.658 -7.923 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.809 0.432 -7.509 1.00 1.70 O ATOM 874 OE2 GLU A 104 -8.976 -0.750 -8.940 1.00 1.29 O ATOM 0 H GLU A 104 -10.341 -3.325 -4.414 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.255 -4.243 -6.000 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.822 -2.206 -6.279 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.680 -1.338 -5.274 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.860 -1.875 -6.857 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.984 -2.776 -7.855 1.00 0.30 H new ATOM 881 N PHE A 105 -7.222 -2.680 -3.282 1.00 0.13 N ATOM 882 CA PHE A 105 -6.031 -2.467 -2.477 1.00 0.13 C ATOM 883 C PHE A 105 -5.446 -3.809 -2.066 1.00 0.12 C ATOM 884 O PHE A 105 -4.235 -3.964 -1.991 1.00 0.13 O ATOM 885 CB PHE A 105 -6.337 -1.616 -1.241 1.00 0.13 C ATOM 886 CG PHE A 105 -5.099 -1.085 -0.570 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.974 -0.800 -1.324 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.057 -0.868 0.799 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.830 -0.308 -0.731 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.912 -0.376 1.397 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.798 -0.095 0.629 1.00 0.14 C ATOM 0 H PHE A 105 -8.091 -2.351 -2.861 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.302 -1.923 -3.078 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.973 -0.780 -1.531 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.903 -2.214 -0.526 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.992 -0.965 -2.391 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.926 -1.085 1.403 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.960 -0.090 -1.333 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.888 -0.211 2.464 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.903 0.291 1.095 1.00 0.14 H new ATOM 901 N CYS A 106 -6.319 -4.786 -1.840 1.00 0.13 N ATOM 902 CA CYS A 106 -5.884 -6.139 -1.520 1.00 0.15 C ATOM 903 C CYS A 106 -5.138 -6.719 -2.708 1.00 0.15 C ATOM 904 O CYS A 106 -4.069 -7.311 -2.560 1.00 0.16 O ATOM 905 CB CYS A 106 -7.094 -7.017 -1.159 1.00 0.19 C ATOM 906 SG CYS A 106 -6.671 -8.715 -0.699 1.00 0.29 S ATOM 0 H CYS A 106 -7.331 -4.665 -1.873 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.217 -6.112 -0.658 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.632 -6.552 -0.332 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.776 -7.042 -2.009 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.757 -9.370 -0.412 1.00 0.29 H new ATOM 912 N ASN A 107 -5.716 -6.530 -3.888 1.00 0.14 N ATOM 913 CA ASN A 107 -5.091 -6.918 -5.145 1.00 0.16 C ATOM 914 C ASN A 107 -3.696 -6.323 -5.258 1.00 0.15 C ATOM 915 O ASN A 107 -2.707 -7.036 -5.411 1.00 0.17 O ATOM 916 CB ASN A 107 -5.943 -6.400 -6.303 1.00 0.18 C ATOM 917 CG ASN A 107 -6.218 -7.460 -7.350 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.403 -8.353 -7.583 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.378 -7.377 -7.984 1.00 0.34 N ATOM 0 H ASN A 107 -6.635 -6.102 -4.000 1.00 0.14 H new ATOM 0 HA ASN A 107 -5.015 -8.005 -5.179 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.890 -6.027 -5.913 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.437 -5.556 -6.771 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.622 -8.068 -8.693 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -8.027 -6.622 -7.763 1.00 0.34 H new ATOM 926 N ILE A 108 -3.643 -5.009 -5.135 1.00 0.13 N ATOM 927 CA ILE A 108 -2.421 -4.239 -5.288 1.00 0.13 C ATOM 928 C ILE A 108 -1.391 -4.620 -4.227 1.00 0.11 C ATOM 929 O ILE A 108 -0.215 -4.828 -4.526 1.00 0.12 O ATOM 930 CB ILE A 108 -2.779 -2.743 -5.181 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.579 -2.315 -6.412 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.546 -1.876 -5.002 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.394 -1.059 -6.198 1.00 0.17 C ATOM 0 H ILE A 108 -4.461 -4.437 -4.923 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.975 -4.452 -6.260 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.392 -2.603 -4.291 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.893 -2.155 -7.244 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.247 -3.127 -6.701 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.844 -0.830 -4.931 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.025 -2.168 -4.090 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.882 -2.007 -5.856 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.935 -0.816 -7.113 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.105 -1.220 -5.388 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.730 -0.234 -5.939 1.00 0.17 H new ATOM 945 N LEU A 109 -1.862 -4.729 -2.998 1.00 0.09 N ATOM 946 CA LEU A 109 -1.021 -5.077 -1.863 1.00 0.08 C ATOM 947 C LEU A 109 -0.428 -6.463 -2.003 1.00 0.09 C ATOM 948 O LEU A 109 0.786 -6.644 -1.924 1.00 0.10 O ATOM 949 CB LEU A 109 -1.827 -4.983 -0.586 1.00 0.08 C ATOM 950 CG LEU A 109 -1.817 -3.604 0.033 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.766 -3.548 1.193 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.420 -3.260 0.484 1.00 0.07 C ATOM 0 H LEU A 109 -2.841 -4.579 -2.756 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.193 -4.369 -1.830 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.857 -5.272 -0.794 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.434 -5.699 0.136 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.140 -2.877 -0.712 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.749 -2.549 1.629 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.775 -3.776 0.849 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.465 -4.278 1.945 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.416 -2.265 0.930 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.086 -3.990 1.222 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.253 -3.276 -0.373 1.00 0.07 H new ATOM 964 N SER A 110 -1.292 -7.433 -2.216 1.00 0.10 N ATOM 965 CA SER A 110 -0.869 -8.812 -2.362 1.00 0.12 C ATOM 966 C SER A 110 0.139 -8.930 -3.501 1.00 0.12 C ATOM 967 O SER A 110 1.097 -9.703 -3.426 1.00 0.14 O ATOM 968 CB SER A 110 -2.080 -9.706 -2.600 1.00 0.15 C ATOM 969 OG SER A 110 -1.713 -11.071 -2.701 1.00 1.15 O ATOM 0 H SER A 110 -2.299 -7.291 -2.293 1.00 0.10 H new ATOM 0 HA SER A 110 -0.382 -9.141 -1.444 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.791 -9.580 -1.784 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.586 -9.397 -3.514 1.00 0.15 H new ATOM 0 HG SER A 110 -2.514 -11.615 -2.852 1.00 1.15 H new ATOM 975 N ARG A 111 -0.082 -8.140 -4.547 1.00 0.11 N ATOM 976 CA ARG A 111 0.846 -8.051 -5.660 1.00 0.12 C ATOM 977 C ARG A 111 2.211 -7.574 -5.206 1.00 0.11 C ATOM 978 O ARG A 111 3.208 -8.282 -5.342 1.00 0.13 O ATOM 979 CB ARG A 111 0.306 -7.072 -6.699 1.00 0.16 C ATOM 980 CG ARG A 111 -0.750 -7.658 -7.599 1.00 0.26 C ATOM 981 CD ARG A 111 -1.275 -6.634 -8.589 1.00 0.99 C ATOM 982 NE ARG A 111 -2.341 -7.181 -9.424 1.00 1.81 N ATOM 983 CZ ARG A 111 -3.249 -6.442 -10.056 1.00 2.57 C ATOM 984 NH1 ARG A 111 -3.200 -5.118 -10.001 1.00 2.67 N ATOM 985 NH2 ARG A 111 -4.201 -7.030 -10.765 1.00 3.55 N ATOM 0 H ARG A 111 -0.907 -7.548 -4.643 1.00 0.11 H new ATOM 0 HA ARG A 111 0.949 -9.048 -6.089 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.109 -6.205 -6.185 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.134 -6.714 -7.311 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.336 -8.509 -8.140 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.575 -8.036 -6.995 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.648 -5.764 -8.048 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.458 -6.290 -9.223 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.393 -8.194 -9.529 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -2.461 -4.657 -9.470 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.901 -4.561 -10.489 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.237 -8.048 -10.826 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.898 -6.465 -11.250 1.00 3.55 H new ATOM 999 N VAL A 112 2.245 -6.387 -4.626 1.00 0.10 N ATOM 1000 CA VAL A 112 3.513 -5.741 -4.313 1.00 0.10 C ATOM 1001 C VAL A 112 4.264 -6.460 -3.218 1.00 0.11 C ATOM 1002 O VAL A 112 5.460 -6.636 -3.331 1.00 0.12 O ATOM 1003 CB VAL A 112 3.371 -4.258 -3.918 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.133 -3.402 -5.138 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.267 -4.047 -2.910 1.00 0.10 C ATOM 0 H VAL A 112 1.417 -5.852 -4.363 1.00 0.10 H new ATOM 0 HA VAL A 112 4.078 -5.793 -5.244 1.00 0.10 H new ATOM 0 HB VAL A 112 4.309 -3.958 -3.451 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.036 -2.359 -4.837 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.974 -3.505 -5.824 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.218 -3.723 -5.635 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.201 -2.988 -2.659 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.319 -4.379 -3.334 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.483 -4.621 -2.009 1.00 0.10 H new ATOM 1015 N LEU A 113 3.571 -6.866 -2.169 1.00 0.10 N ATOM 1016 CA LEU A 113 4.213 -7.567 -1.065 1.00 0.11 C ATOM 1017 C LEU A 113 4.957 -8.795 -1.552 1.00 0.12 C ATOM 1018 O LEU A 113 6.144 -8.981 -1.282 1.00 0.14 O ATOM 1019 CB LEU A 113 3.182 -7.973 -0.027 1.00 0.11 C ATOM 1020 CG LEU A 113 3.068 -6.988 1.114 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.906 -6.048 0.884 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.954 -7.709 2.439 1.00 0.28 C ATOM 0 H LEU A 113 2.567 -6.724 -2.056 1.00 0.10 H new ATOM 0 HA LEU A 113 4.933 -6.885 -0.613 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.210 -8.074 -0.510 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.444 -8.953 0.372 1.00 0.11 H new ATOM 0 HG LEU A 113 3.977 -6.388 1.151 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.837 -5.345 1.714 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.061 -5.499 -0.045 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.982 -6.622 0.817 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.873 -6.979 3.245 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.067 -8.343 2.433 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.839 -8.325 2.595 1.00 0.28 H new ATOM 1034 N SER A 114 4.235 -9.614 -2.278 1.00 0.13 N ATOM 1035 CA SER A 114 4.777 -10.842 -2.853 1.00 0.15 C ATOM 1036 C SER A 114 5.963 -10.546 -3.765 1.00 0.15 C ATOM 1037 O SER A 114 6.991 -11.224 -3.707 1.00 0.17 O ATOM 1038 CB SER A 114 3.691 -11.587 -3.629 1.00 0.17 C ATOM 1039 OG SER A 114 2.586 -11.893 -2.794 1.00 1.00 O ATOM 0 H SER A 114 3.251 -9.456 -2.493 1.00 0.13 H new ATOM 0 HA SER A 114 5.126 -11.472 -2.035 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.358 -10.978 -4.470 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.103 -12.507 -4.045 1.00 0.17 H new ATOM 0 HG SER A 114 1.943 -11.154 -2.818 1.00 1.00 H new ATOM 1045 N ARG A 115 5.823 -9.523 -4.595 1.00 0.13 N ATOM 1046 CA ARG A 115 6.890 -9.115 -5.490 1.00 0.14 C ATOM 1047 C ARG A 115 8.045 -8.507 -4.706 1.00 0.14 C ATOM 1048 O ARG A 115 9.202 -8.654 -5.072 1.00 0.18 O ATOM 1049 CB ARG A 115 6.346 -8.101 -6.487 1.00 0.17 C ATOM 1050 CG ARG A 115 5.305 -8.680 -7.422 1.00 0.24 C ATOM 1051 CD ARG A 115 4.640 -7.590 -8.239 1.00 0.35 C ATOM 1052 NE ARG A 115 3.540 -8.108 -9.048 1.00 0.84 N ATOM 1053 CZ ARG A 115 2.760 -7.356 -9.819 1.00 1.19 C ATOM 1054 NH1 ARG A 115 2.974 -6.049 -9.908 1.00 1.20 N ATOM 1055 NH2 ARG A 115 1.766 -7.918 -10.499 1.00 1.83 N ATOM 0 H ARG A 115 4.976 -8.959 -4.666 1.00 0.13 H new ATOM 0 HA ARG A 115 7.263 -9.990 -6.022 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.910 -7.264 -5.942 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.172 -7.702 -7.076 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.773 -9.404 -8.089 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.552 -9.217 -6.845 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.265 -6.814 -7.572 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.379 -7.122 -8.889 1.00 0.35 H new ATOM 0 HE ARG A 115 3.358 -9.111 -9.020 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.737 -5.620 -9.385 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.375 -5.473 -10.500 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.604 -8.923 -10.428 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.165 -7.345 -11.092 1.00 1.83 H new ATOM 1069 N ALA A 116 7.700 -7.804 -3.640 1.00 0.13 N ATOM 1070 CA ALA A 116 8.680 -7.110 -2.805 1.00 0.14 C ATOM 1071 C ALA A 116 9.582 -8.081 -2.059 1.00 0.16 C ATOM 1072 O ALA A 116 10.780 -7.851 -1.938 1.00 0.18 O ATOM 1073 CB ALA A 116 7.971 -6.177 -1.840 1.00 0.15 C ATOM 0 H ALA A 116 6.736 -7.695 -3.325 1.00 0.13 H new ATOM 0 HA ALA A 116 9.322 -6.522 -3.461 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.708 -5.664 -1.222 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.394 -5.442 -2.402 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.301 -6.754 -1.202 1.00 0.15 H new ATOM 1079 N ARG A 117 9.012 -9.160 -1.558 1.00 0.19 N ATOM 1080 CA ARG A 117 9.808 -10.181 -0.891 1.00 0.24 C ATOM 1081 C ARG A 117 10.623 -10.980 -1.890 1.00 0.26 C ATOM 1082 O ARG A 117 11.658 -11.561 -1.551 1.00 0.32 O ATOM 1083 CB ARG A 117 8.929 -11.115 -0.085 1.00 0.28 C ATOM 1084 CG ARG A 117 8.641 -10.592 1.296 1.00 0.61 C ATOM 1085 CD ARG A 117 7.238 -10.029 1.406 1.00 0.34 C ATOM 1086 NE ARG A 117 6.897 -9.652 2.778 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.778 -10.036 3.398 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.930 -10.867 2.805 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.528 -9.611 4.629 1.00 2.33 N ATOM 0 H ARG A 117 8.011 -9.355 -1.597 1.00 0.19 H new ATOM 0 HA ARG A 117 10.491 -9.668 -0.214 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.989 -11.270 -0.614 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.415 -12.088 -0.007 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.768 -11.395 2.022 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.364 -9.817 1.549 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.147 -9.157 0.759 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.523 -10.769 1.046 1.00 0.34 H new ATOM 0 HE ARG A 117 7.552 -9.062 3.291 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.130 -11.218 1.868 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.078 -11.155 3.286 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.189 -8.993 5.099 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.674 -9.902 5.106 1.00 2.33 H new ATOM 1103 N SER A 118 10.146 -11.006 -3.116 1.00 0.26 N ATOM 1104 CA SER A 118 10.837 -11.687 -4.193 1.00 0.31 C ATOM 1105 C SER A 118 11.921 -10.793 -4.735 1.00 0.28 C ATOM 1106 O SER A 118 12.989 -11.250 -5.142 1.00 0.32 O ATOM 1107 CB SER A 118 9.857 -12.042 -5.302 1.00 0.37 C ATOM 1108 OG SER A 118 10.191 -13.275 -5.918 1.00 0.68 O ATOM 0 H SER A 118 9.273 -10.559 -3.395 1.00 0.26 H new ATOM 0 HA SER A 118 11.281 -12.606 -3.810 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.849 -12.100 -4.892 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.851 -11.250 -6.051 1.00 0.37 H new ATOM 0 HG SER A 118 9.541 -13.474 -6.624 1.00 0.68 H new ATOM 1114 N ARG A 119 11.638 -9.515 -4.718 1.00 0.23 N ATOM 1115 CA ARG A 119 12.541 -8.535 -5.232 1.00 0.20 C ATOM 1116 C ARG A 119 12.556 -7.283 -4.412 1.00 0.18 C ATOM 1117 O ARG A 119 11.929 -6.277 -4.745 1.00 0.17 O ATOM 1118 CB ARG A 119 12.196 -8.234 -6.643 1.00 0.25 C ATOM 1119 CG ARG A 119 12.987 -9.100 -7.553 1.00 0.33 C ATOM 1120 CD ARG A 119 13.603 -8.267 -8.646 1.00 0.33 C ATOM 1121 NE ARG A 119 14.170 -9.078 -9.719 1.00 0.55 N ATOM 1122 CZ ARG A 119 14.673 -8.572 -10.846 1.00 0.97 C ATOM 1123 NH1 ARG A 119 14.810 -7.257 -10.990 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.060 -9.381 -11.822 1.00 1.19 N ATOM 0 H ARG A 119 10.770 -9.131 -4.345 1.00 0.23 H new ATOM 0 HA ARG A 119 13.547 -8.951 -5.181 1.00 0.20 H new ATOM 0 HB2 ARG A 119 11.131 -8.395 -6.808 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.397 -7.185 -6.860 1.00 0.25 H new ATOM 0 HG2 ARG A 119 13.767 -9.615 -6.992 1.00 0.33 H new ATOM 0 HG3 ARG A 119 12.346 -9.868 -7.986 1.00 0.33 H new ATOM 0 HD2 ARG A 119 12.846 -7.601 -9.060 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.384 -7.637 -8.221 1.00 0.33 H new ATOM 0 HE ARG A 119 14.182 -10.091 -9.600 1.00 0.55 H new ATOM 0 HH11 ARG A 119 14.530 -6.629 -10.236 1.00 1.48 H new ATOM 0 HH12 ARG A 119 15.195 -6.876 -11.854 1.00 1.48 H new ATOM 0 HH21 ARG A 119 14.973 -10.391 -11.712 1.00 1.19 H new ATOM 0 HH22 ARG A 119 15.445 -8.993 -12.684 1.00 1.19 H new ATOM 1138 N PRO A 120 13.298 -7.350 -3.329 1.00 0.19 N ATOM 1139 CA PRO A 120 13.534 -6.224 -2.446 1.00 0.19 C ATOM 1140 C PRO A 120 14.313 -5.091 -3.124 1.00 0.20 C ATOM 1141 O PRO A 120 14.464 -4.014 -2.547 1.00 0.21 O ATOM 1142 CB PRO A 120 14.332 -6.846 -1.307 1.00 0.23 C ATOM 1143 CG PRO A 120 14.982 -8.025 -1.922 1.00 0.25 C ATOM 1144 CD PRO A 120 13.949 -8.573 -2.846 1.00 0.22 C ATOM 0 HA PRO A 120 12.608 -5.749 -2.123 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.068 -6.148 -0.909 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.685 -7.135 -0.478 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.888 -7.745 -2.459 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.272 -8.758 -1.169 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.392 -9.149 -3.659 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.250 -9.233 -2.332 1.00 0.22 H new ATOM 1152 N ALA A 121 14.811 -5.323 -4.346 1.00 0.20 N ATOM 1153 CA ALA A 121 15.425 -4.243 -5.114 1.00 0.22 C ATOM 1154 C ALA A 121 14.338 -3.418 -5.766 1.00 0.19 C ATOM 1155 O ALA A 121 14.416 -2.195 -5.860 1.00 0.21 O ATOM 1156 CB ALA A 121 16.360 -4.788 -6.173 1.00 0.25 C ATOM 0 H ALA A 121 14.800 -6.230 -4.812 1.00 0.20 H new ATOM 0 HA ALA A 121 16.010 -3.622 -4.436 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.802 -3.961 -6.729 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.150 -5.369 -5.697 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.802 -5.427 -6.857 1.00 0.25 H new ATOM 1162 N LYS A 122 13.307 -4.120 -6.195 1.00 0.16 N ATOM 1163 CA LYS A 122 12.177 -3.497 -6.840 1.00 0.16 C ATOM 1164 C LYS A 122 11.180 -3.000 -5.808 1.00 0.11 C ATOM 1165 O LYS A 122 10.116 -2.512 -6.159 1.00 0.11 O ATOM 1166 CB LYS A 122 11.507 -4.459 -7.804 1.00 0.20 C ATOM 1167 CG LYS A 122 12.416 -4.869 -8.939 1.00 0.27 C ATOM 1168 CD LYS A 122 11.683 -4.916 -10.257 1.00 0.41 C ATOM 1169 CE LYS A 122 10.513 -5.860 -10.196 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.745 -5.875 -11.467 1.00 1.07 N ATOM 0 H LYS A 122 13.233 -5.133 -6.105 1.00 0.16 H new ATOM 0 HA LYS A 122 12.541 -2.642 -7.409 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.186 -5.348 -7.261 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.610 -3.993 -8.212 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.247 -4.167 -9.010 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.844 -5.849 -8.726 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.334 -3.917 -10.518 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.367 -5.231 -11.045 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.870 -6.866 -9.976 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.854 -5.569 -9.378 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.948 -6.538 -11.383 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.382 -4.921 -11.665 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.366 -6.177 -12.244 1.00 1.07 H new ATOM 1184 N LEU A 123 11.516 -3.163 -4.532 1.00 0.10 N ATOM 1185 CA LEU A 123 10.722 -2.625 -3.439 1.00 0.08 C ATOM 1186 C LEU A 123 10.296 -1.185 -3.688 1.00 0.08 C ATOM 1187 O LEU A 123 9.142 -0.853 -3.491 1.00 0.13 O ATOM 1188 CB LEU A 123 11.524 -2.702 -2.154 1.00 0.12 C ATOM 1189 CG LEU A 123 10.806 -2.190 -0.915 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.504 -2.935 -0.710 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.695 -2.328 0.297 1.00 0.23 C ATOM 0 H LEU A 123 12.347 -3.672 -4.230 1.00 0.10 H new ATOM 0 HA LEU A 123 9.815 -3.224 -3.361 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.812 -3.740 -1.985 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.444 -2.132 -2.283 1.00 0.12 H new ATOM 0 HG LEU A 123 10.575 -1.134 -1.057 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.004 -2.555 0.181 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.860 -2.788 -1.577 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.709 -3.998 -0.586 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.170 -1.958 1.178 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.952 -3.377 0.442 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.606 -1.748 0.148 1.00 0.23 H new ATOM 1203 N TYR A 124 11.210 -0.338 -4.144 1.00 0.11 N ATOM 1204 CA TYR A 124 10.891 1.029 -4.467 1.00 0.10 C ATOM 1205 C TYR A 124 9.877 1.107 -5.587 1.00 0.11 C ATOM 1206 O TYR A 124 9.073 2.013 -5.622 1.00 0.14 O ATOM 1207 CB TYR A 124 12.170 1.763 -4.826 1.00 0.14 C ATOM 1208 CG TYR A 124 13.066 1.826 -3.634 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.491 2.008 -2.408 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.440 1.690 -3.712 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.236 2.058 -1.268 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.216 1.742 -2.568 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.604 1.927 -1.341 1.00 1.45 C ATOM 1214 OH TYR A 124 15.351 1.967 -0.183 1.00 1.89 O ATOM 0 H TYR A 124 12.187 -0.587 -4.297 1.00 0.11 H new ATOM 0 HA TYR A 124 10.437 1.506 -3.599 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.675 1.253 -5.646 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.938 2.770 -5.172 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.418 2.115 -2.341 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.911 1.542 -4.673 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.755 2.200 -0.311 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.289 1.639 -2.632 1.00 1.74 H new ATOM 0 HH TYR A 124 16.157 2.505 -0.332 1.00 1.89 H new ATOM 1224 N VAL A 125 9.868 0.120 -6.458 1.00 0.10 N ATOM 1225 CA VAL A 125 8.893 0.082 -7.531 1.00 0.12 C ATOM 1226 C VAL A 125 7.521 -0.112 -6.923 1.00 0.11 C ATOM 1227 O VAL A 125 6.545 0.528 -7.290 1.00 0.14 O ATOM 1228 CB VAL A 125 9.161 -1.098 -8.473 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.184 -1.103 -9.619 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.587 -1.083 -8.971 1.00 0.18 C ATOM 0 H VAL A 125 10.521 -0.664 -6.446 1.00 0.10 H new ATOM 0 HA VAL A 125 8.957 1.013 -8.094 1.00 0.12 H new ATOM 0 HB VAL A 125 9.018 -2.019 -7.908 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.395 -1.949 -10.273 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.169 -1.188 -9.231 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.280 -0.175 -10.183 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.749 -1.931 -9.637 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.774 -0.156 -9.512 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.269 -1.152 -8.124 1.00 0.18 H new ATOM 1240 N TYR A 126 7.501 -1.011 -5.966 1.00 0.07 N ATOM 1241 CA TYR A 126 6.305 -1.418 -5.251 1.00 0.08 C ATOM 1242 C TYR A 126 5.853 -0.334 -4.284 1.00 0.08 C ATOM 1243 O TYR A 126 4.664 -0.035 -4.180 1.00 0.10 O ATOM 1244 CB TYR A 126 6.657 -2.701 -4.512 1.00 0.11 C ATOM 1245 CG TYR A 126 7.287 -3.729 -5.417 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.891 -3.868 -6.746 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.295 -4.546 -4.950 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.490 -4.800 -7.572 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.891 -5.481 -5.770 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.489 -5.603 -7.072 1.00 0.28 C ATOM 1251 OH TYR A 126 9.072 -6.553 -7.871 1.00 0.36 O ATOM 0 H TYR A 126 8.341 -1.497 -5.651 1.00 0.07 H new ATOM 0 HA TYR A 126 5.476 -1.582 -5.939 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.341 -2.471 -3.695 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.755 -3.119 -4.064 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.105 -3.238 -7.136 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.623 -4.452 -3.925 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.177 -4.897 -8.601 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.675 -6.117 -5.385 1.00 0.27 H new ATOM 0 HH TYR A 126 9.279 -7.348 -7.336 1.00 0.36 H new ATOM 1261 N ILE A 127 6.810 0.234 -3.573 1.00 0.08 N ATOM 1262 CA ILE A 127 6.574 1.369 -2.702 1.00 0.11 C ATOM 1263 C ILE A 127 6.015 2.527 -3.503 1.00 0.12 C ATOM 1264 O ILE A 127 4.978 3.092 -3.162 1.00 0.14 O ATOM 1265 CB ILE A 127 7.891 1.797 -2.030 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.356 0.723 -1.062 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.753 3.124 -1.311 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.808 0.859 -0.694 1.00 0.13 C ATOM 0 H ILE A 127 7.780 -0.082 -3.584 1.00 0.08 H new ATOM 0 HA ILE A 127 5.855 1.081 -1.935 1.00 0.11 H new ATOM 0 HB ILE A 127 8.636 1.925 -2.815 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.751 0.769 -0.157 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.189 -0.258 -1.507 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.705 3.389 -0.851 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.467 3.897 -2.025 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.987 3.042 -0.540 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.083 0.065 -0.000 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.420 0.784 -1.593 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.974 1.827 -0.222 1.00 0.13 H new ATOM 1280 N ASN A 128 6.713 2.861 -4.578 1.00 0.12 N ATOM 1281 CA ASN A 128 6.258 3.916 -5.480 1.00 0.15 C ATOM 1282 C ASN A 128 4.895 3.558 -6.058 1.00 0.12 C ATOM 1283 O ASN A 128 4.022 4.414 -6.170 1.00 0.12 O ATOM 1284 CB ASN A 128 7.256 4.165 -6.624 1.00 0.20 C ATOM 1285 CG ASN A 128 8.589 4.777 -6.192 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.998 4.557 -4.949 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.246 5.462 -6.977 1.00 0.42 N flip ATOM 0 H ASN A 128 7.593 2.421 -4.849 1.00 0.12 H new ATOM 0 HA ASN A 128 6.183 4.834 -4.897 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.453 3.219 -7.127 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.790 4.824 -7.356 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.908 5.615 -7.927 1.00 0.42 H new ATOM 0 HD22 ASN A 128 10.128 5.876 -6.677 1.00 0.42 H new ATOM 1294 N GLU A 129 4.718 2.288 -6.419 1.00 0.11 N ATOM 1295 CA GLU A 129 3.448 1.792 -6.924 1.00 0.10 C ATOM 1296 C GLU A 129 2.326 2.055 -5.949 1.00 0.09 C ATOM 1297 O GLU A 129 1.362 2.734 -6.268 1.00 0.14 O ATOM 1298 CB GLU A 129 3.516 0.300 -7.173 1.00 0.14 C ATOM 1299 CG GLU A 129 2.895 -0.101 -8.484 1.00 0.26 C ATOM 1300 CD GLU A 129 1.520 0.494 -8.733 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.449 1.650 -9.195 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.507 -0.181 -8.445 1.00 1.55 O ATOM 0 H GLU A 129 5.450 1.580 -6.368 1.00 0.11 H new ATOM 0 HA GLU A 129 3.251 2.321 -7.857 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.558 -0.019 -7.157 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.010 -0.223 -6.361 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.560 0.199 -9.294 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.819 -1.188 -8.519 1.00 0.26 H new ATOM 1309 N LEU A 130 2.480 1.517 -4.760 1.00 0.07 N ATOM 1310 CA LEU A 130 1.472 1.617 -3.728 1.00 0.08 C ATOM 1311 C LEU A 130 1.218 3.078 -3.390 1.00 0.09 C ATOM 1312 O LEU A 130 0.080 3.488 -3.204 1.00 0.10 O ATOM 1313 CB LEU A 130 1.914 0.857 -2.490 1.00 0.08 C ATOM 1314 CG LEU A 130 0.775 0.258 -1.675 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.099 -0.864 -2.439 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.296 -0.239 -0.346 1.00 0.08 C ATOM 0 H LEU A 130 3.311 0.996 -4.480 1.00 0.07 H new ATOM 0 HA LEU A 130 0.545 1.176 -4.094 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.588 0.055 -2.793 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.486 1.530 -1.851 1.00 0.08 H new ATOM 0 HG LEU A 130 0.032 1.034 -1.492 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.711 -1.277 -1.838 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.304 -0.476 -3.374 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.826 -1.647 -2.655 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.475 -0.666 0.230 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.055 -1.002 -0.515 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.734 0.592 0.207 1.00 0.08 H new ATOM 1328 N CYS A 131 2.288 3.862 -3.338 1.00 0.11 N ATOM 1329 CA CYS A 131 2.178 5.298 -3.133 1.00 0.13 C ATOM 1330 C CYS A 131 1.319 5.915 -4.232 1.00 0.13 C ATOM 1331 O CYS A 131 0.430 6.722 -3.967 1.00 0.14 O ATOM 1332 CB CYS A 131 3.570 5.934 -3.141 1.00 0.18 C ATOM 1333 SG CYS A 131 3.565 7.741 -3.173 1.00 1.39 S ATOM 0 H CYS A 131 3.245 3.524 -3.436 1.00 0.11 H new ATOM 0 HA CYS A 131 1.708 5.484 -2.167 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.114 5.600 -2.257 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.118 5.569 -4.010 1.00 0.18 H new ATOM 0 HG CYS A 131 4.338 8.194 -2.231 1.00 1.39 H new ATOM 1339 N THR A 132 1.591 5.504 -5.463 1.00 0.12 N ATOM 1340 CA THR A 132 0.851 5.974 -6.627 1.00 0.14 C ATOM 1341 C THR A 132 -0.595 5.501 -6.552 1.00 0.11 C ATOM 1342 O THR A 132 -1.525 6.260 -6.785 1.00 0.15 O ATOM 1343 CB THR A 132 1.500 5.468 -7.934 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.861 5.910 -8.001 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.744 5.965 -9.155 1.00 0.24 C ATOM 0 H THR A 132 2.330 4.836 -5.683 1.00 0.12 H new ATOM 0 HA THR A 132 0.875 7.064 -6.629 1.00 0.14 H new ATOM 0 HB THR A 132 1.463 4.379 -7.929 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.446 5.229 -7.607 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.226 5.591 -10.058 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.284 5.606 -9.117 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.747 7.055 -9.166 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.753 4.230 -6.236 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.043 3.626 -5.949 1.00 0.07 C ATOM 1355 C VAL A 133 -2.848 4.443 -4.946 1.00 0.07 C ATOM 1356 O VAL A 133 -4.021 4.753 -5.167 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.812 2.216 -5.389 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.018 1.694 -4.637 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.434 1.263 -6.502 1.00 0.10 C ATOM 0 H VAL A 133 0.026 3.575 -6.170 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.615 3.589 -6.876 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.989 2.282 -4.677 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.806 0.693 -4.260 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.241 2.357 -3.801 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.876 1.655 -5.308 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.273 0.267 -6.089 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.237 1.226 -7.238 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.518 1.609 -6.982 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.206 4.793 -3.852 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.857 5.530 -2.788 1.00 0.11 C ATOM 1371 C LEU A 134 -3.104 6.972 -3.210 1.00 0.14 C ATOM 1372 O LEU A 134 -4.053 7.608 -2.760 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.996 5.468 -1.534 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.705 4.049 -1.044 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.626 4.058 0.021 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.974 3.401 -0.519 1.00 0.16 C ATOM 0 H LEU A 134 -1.225 4.577 -3.675 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.826 5.078 -2.575 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.051 5.974 -1.730 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.494 6.021 -0.737 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.341 3.462 -1.887 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.436 3.038 0.355 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.289 4.481 -0.392 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.955 4.661 0.867 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.751 2.391 -0.174 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.367 3.989 0.310 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.716 3.356 -1.316 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.240 7.476 -4.081 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.379 8.777 -4.663 1.00 0.17 C ATOM 1390 C LYS A 135 -3.538 8.760 -5.646 1.00 0.15 C ATOM 1391 O LYS A 135 -4.247 9.751 -5.830 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.071 9.107 -5.381 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.707 10.562 -5.329 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.693 11.397 -6.111 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.556 11.165 -7.609 1.00 1.32 C ATOM 1396 NZ LYS A 135 -2.526 11.969 -8.399 1.00 1.82 N ATOM 0 H LYS A 135 -1.412 6.972 -4.400 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.583 9.531 -3.902 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.265 8.523 -4.936 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.151 8.798 -6.423 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.683 10.897 -4.292 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.295 10.704 -5.733 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.708 11.154 -5.795 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.534 12.452 -5.889 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -0.542 11.415 -7.921 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.704 10.107 -7.825 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -2.393 11.776 -9.412 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -3.495 11.713 -8.122 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -2.369 12.981 -8.216 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.737 7.602 -6.248 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.744 7.420 -7.255 1.00 0.14 C ATOM 1412 C ALA A 136 -6.111 7.371 -6.604 1.00 0.16 C ATOM 1413 O ALA A 136 -7.103 7.850 -7.150 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.470 6.129 -8.017 1.00 0.17 C ATOM 0 H ALA A 136 -3.197 6.761 -6.045 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.721 8.255 -7.955 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.234 5.989 -8.782 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.489 6.186 -8.489 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.491 5.287 -7.325 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.145 6.798 -5.413 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.395 6.559 -4.721 1.00 0.23 C ATOM 1422 C HIS A 137 -7.392 7.226 -3.359 1.00 0.24 C ATOM 1423 O HIS A 137 -7.798 6.637 -2.360 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.638 5.055 -4.595 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.498 4.341 -5.904 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -6.799 3.238 -6.243 1.00 0.29 N flip ATOM 1427 CD2 HIS A 137 -8.063 4.802 -7.066 1.00 0.30 C flip ATOM 1428 CE1 HIS A 137 -6.950 3.050 -7.593 1.00 0.32 C flip ATOM 1429 NE2 HIS A 137 -7.715 4.017 -8.062 1.00 0.34 N flip ATOM 0 H HIS A 137 -5.316 6.489 -4.905 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.208 6.996 -5.300 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.933 4.635 -3.878 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.638 4.884 -4.196 1.00 0.24 H new ATOM 0 HD1 HIS A 137 -6.257 2.650 -5.610 1.00 0.29 H new ATOM 0 HD2 HIS A 137 -8.695 5.674 -7.150 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -6.517 2.248 -8.173 1.00 0.32 H new