USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 461 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 127 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 131 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.6!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0123 USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.108 (180deg=-0.687) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= -0.0614 (180deg=-0.531) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 112 SER OG : rot -105:sc= -2.44! USER MOD Single : A 114 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.18) USER MOD Single : A 117 LYS NZ :NH3+ -123:sc= -0.172 (180deg=-0.897) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc= -1.94 (180deg=-2.31) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -36:sc= 0.6 USER MOD Single : A 126 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.8!) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 130 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.107) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -158:sc= 0.309 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 87 24.317 1.287 -26.197 1.00 0.00 N ATOM 135 CA PRO A 87 25.407 0.415 -26.712 1.00 0.00 C ATOM 136 C PRO A 87 25.562 0.526 -28.226 1.00 0.00 C ATOM 137 O PRO A 87 24.581 0.708 -28.948 1.00 0.00 O ATOM 138 CB PRO A 87 24.970 -0.986 -26.294 1.00 0.00 C ATOM 139 CG PRO A 87 23.481 -0.929 -26.176 1.00 0.00 C ATOM 140 CD PRO A 87 23.090 0.524 -25.919 1.00 0.00 C ATOM 0 HA PRO A 87 26.384 0.691 -26.316 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.276 -1.728 -27.032 1.00 0.00 H new ATOM 0 HB3 PRO A 87 25.427 -1.272 -25.347 1.00 0.00 H new ATOM 0 HG2 PRO A 87 23.011 -1.296 -27.089 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.137 -1.567 -25.362 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.272 0.836 -26.568 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.755 0.670 -24.892 1.00 0.00 H new ATOM 148 N CYS A 88 26.796 0.411 -28.699 1.00 0.00 N ATOM 149 CA CYS A 88 27.066 0.502 -30.129 1.00 0.00 C ATOM 150 C CYS A 88 26.330 -0.593 -30.891 1.00 0.00 C ATOM 151 O CYS A 88 26.320 -1.751 -30.479 1.00 0.00 O ATOM 152 CB CYS A 88 28.571 0.379 -30.385 1.00 0.00 C ATOM 153 SG CYS A 88 28.892 0.507 -32.161 1.00 0.00 S ATOM 0 H CYS A 88 27.621 0.256 -28.119 1.00 0.00 H new ATOM 0 HA CYS A 88 26.712 1.471 -30.482 1.00 0.00 H new ATOM 0 HB2 CYS A 88 29.107 1.163 -29.850 1.00 0.00 H new ATOM 0 HB3 CYS A 88 28.939 -0.574 -30.006 1.00 0.00 H new ATOM 0 HG CYS A 88 30.169 0.405 -32.380 1.00 0.00 H new ATOM 159 N GLY A 89 25.715 -0.216 -32.009 1.00 0.00 N ATOM 160 CA GLY A 89 24.981 -1.172 -32.829 1.00 0.00 C ATOM 161 C GLY A 89 23.482 -1.063 -32.593 1.00 0.00 C ATOM 162 O GLY A 89 22.683 -1.497 -33.424 1.00 0.00 O ATOM 0 H GLY A 89 25.711 0.740 -32.365 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.200 -0.995 -33.882 1.00 0.00 H new ATOM 0 HA3 GLY A 89 25.315 -2.184 -32.600 1.00 0.00 H new ATOM 166 N TRP A 90 23.107 -0.482 -31.460 1.00 0.00 N ATOM 167 CA TRP A 90 21.697 -0.315 -31.123 1.00 0.00 C ATOM 168 C TRP A 90 21.327 1.163 -31.058 1.00 0.00 C ATOM 169 O TRP A 90 22.124 1.989 -30.614 1.00 0.00 O ATOM 170 CB TRP A 90 21.401 -0.979 -29.781 1.00 0.00 C ATOM 171 CG TRP A 90 21.580 -2.458 -29.905 1.00 0.00 C ATOM 172 CD1 TRP A 90 22.741 -3.120 -29.695 1.00 0.00 C ATOM 173 CD2 TRP A 90 20.591 -3.469 -30.258 1.00 0.00 C ATOM 174 NE1 TRP A 90 22.529 -4.471 -29.901 1.00 0.00 N ATOM 175 CE2 TRP A 90 21.220 -4.736 -30.248 1.00 0.00 C ATOM 176 CE3 TRP A 90 19.224 -3.408 -30.583 1.00 0.00 C ATOM 177 CZ2 TRP A 90 20.517 -5.904 -30.551 1.00 0.00 C ATOM 178 CZ3 TRP A 90 18.513 -4.582 -30.887 1.00 0.00 C ATOM 179 CH2 TRP A 90 19.159 -5.827 -30.872 1.00 0.00 C ATOM 0 H TRP A 90 23.756 -0.120 -30.761 1.00 0.00 H new ATOM 0 HA TRP A 90 21.100 -0.788 -31.902 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.067 -0.585 -29.014 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.382 -0.750 -29.467 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.680 -2.667 -29.413 1.00 0.00 H new ATOM 0 HE1 TRP A 90 23.252 -5.184 -29.808 1.00 0.00 H new ATOM 0 HE3 TRP A 90 18.718 -2.454 -30.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 21.019 -6.860 -30.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 17.463 -4.525 -31.134 1.00 0.00 H new ATOM 0 HH2 TRP A 90 18.608 -6.725 -31.108 1.00 0.00 H new ATOM 190 N GLU A 91 20.112 1.487 -31.494 1.00 0.00 N ATOM 191 CA GLU A 91 19.647 2.868 -31.468 1.00 0.00 C ATOM 192 C GLU A 91 18.573 3.039 -30.398 1.00 0.00 C ATOM 193 O GLU A 91 17.809 2.115 -30.116 1.00 0.00 O ATOM 194 CB GLU A 91 19.081 3.258 -32.832 1.00 0.00 C ATOM 195 CG GLU A 91 18.812 4.764 -32.864 1.00 0.00 C ATOM 196 CD GLU A 91 20.131 5.529 -32.804 1.00 0.00 C ATOM 197 OE1 GLU A 91 21.159 4.917 -33.042 1.00 0.00 O ATOM 198 OE2 GLU A 91 20.094 6.714 -32.520 1.00 0.00 O ATOM 0 H GLU A 91 19.438 0.818 -31.866 1.00 0.00 H new ATOM 0 HA GLU A 91 20.491 3.516 -31.234 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.784 2.987 -33.620 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.159 2.709 -33.025 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.271 5.026 -33.773 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.179 5.047 -32.023 1.00 0.00 H new ATOM 205 N ARG A 92 18.518 4.228 -29.804 1.00 0.00 N ATOM 206 CA ARG A 92 17.535 4.513 -28.765 1.00 0.00 C ATOM 207 C ARG A 92 16.611 5.648 -29.191 1.00 0.00 C ATOM 208 O ARG A 92 17.064 6.671 -29.701 1.00 0.00 O ATOM 209 CB ARG A 92 18.254 4.900 -27.470 1.00 0.00 C ATOM 210 CG ARG A 92 19.134 3.739 -27.000 1.00 0.00 C ATOM 211 CD ARG A 92 18.284 2.725 -26.229 1.00 0.00 C ATOM 212 NE ARG A 92 17.650 3.372 -25.086 1.00 0.00 N ATOM 213 CZ ARG A 92 18.301 3.541 -23.941 1.00 0.00 C ATOM 214 NH1 ARG A 92 19.531 3.124 -23.823 1.00 0.00 N ATOM 215 NH2 ARG A 92 17.711 4.125 -22.934 1.00 0.00 N ATOM 0 H ARG A 92 19.140 5.006 -30.024 1.00 0.00 H new ATOM 0 HA ARG A 92 16.935 3.618 -28.602 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.864 5.788 -27.633 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.525 5.151 -26.699 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.604 3.257 -27.857 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.937 4.113 -26.364 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.524 2.302 -26.885 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.908 1.898 -25.889 1.00 0.00 H new ATOM 0 HE ARG A 92 16.688 3.701 -25.168 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.993 2.668 -24.610 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.031 3.254 -22.944 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.749 4.452 -23.026 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.212 4.254 -22.055 1.00 0.00 H new ATOM 229 N VAL A 93 15.315 5.455 -28.976 1.00 0.00 N ATOM 230 CA VAL A 93 14.327 6.463 -29.332 1.00 0.00 C ATOM 231 C VAL A 93 13.356 6.702 -28.185 1.00 0.00 C ATOM 232 O VAL A 93 12.797 5.756 -27.639 1.00 0.00 O ATOM 233 CB VAL A 93 13.555 6.022 -30.578 1.00 0.00 C ATOM 234 CG1 VAL A 93 12.312 6.899 -30.744 1.00 0.00 C ATOM 235 CG2 VAL A 93 14.451 6.180 -31.812 1.00 0.00 C ATOM 0 H VAL A 93 14.925 4.610 -28.557 1.00 0.00 H new ATOM 0 HA VAL A 93 14.852 7.395 -29.541 1.00 0.00 H new ATOM 0 HB VAL A 93 13.256 4.979 -30.471 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.762 6.586 -31.631 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.674 6.796 -29.866 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.614 7.941 -30.853 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.904 5.867 -32.701 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.746 7.224 -31.916 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.341 5.562 -31.697 1.00 0.00 H new ATOM 245 N VAL A 94 13.157 7.970 -27.832 1.00 0.00 N ATOM 246 CA VAL A 94 12.241 8.314 -26.752 1.00 0.00 C ATOM 247 C VAL A 94 11.195 9.316 -27.233 1.00 0.00 C ATOM 248 O VAL A 94 11.518 10.277 -27.931 1.00 0.00 O ATOM 249 CB VAL A 94 13.025 8.913 -25.581 1.00 0.00 C ATOM 250 CG1 VAL A 94 14.054 7.900 -25.079 1.00 0.00 C ATOM 251 CG2 VAL A 94 13.746 10.182 -26.046 1.00 0.00 C ATOM 0 H VAL A 94 13.614 8.768 -28.274 1.00 0.00 H new ATOM 0 HA VAL A 94 11.732 7.407 -26.426 1.00 0.00 H new ATOM 0 HB VAL A 94 12.335 9.159 -24.773 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.610 8.329 -24.246 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.543 6.996 -24.747 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.743 7.651 -25.886 1.00 0.00 H new ATOM 0 HG21 VAL A 94 14.304 10.609 -25.213 1.00 0.00 H new ATOM 0 HG22 VAL A 94 14.434 9.934 -26.855 1.00 0.00 H new ATOM 0 HG23 VAL A 94 13.014 10.907 -26.402 1.00 0.00 H new ATOM 261 N LYS A 95 9.945 9.084 -26.848 1.00 0.00 N ATOM 262 CA LYS A 95 8.860 9.978 -27.240 1.00 0.00 C ATOM 263 C LYS A 95 7.837 10.101 -26.116 1.00 0.00 C ATOM 264 O LYS A 95 7.300 9.102 -25.641 1.00 0.00 O ATOM 265 CB LYS A 95 8.176 9.445 -28.501 1.00 0.00 C ATOM 266 CG LYS A 95 7.537 8.088 -28.201 1.00 0.00 C ATOM 267 CD LYS A 95 7.331 7.317 -29.507 1.00 0.00 C ATOM 268 CE LYS A 95 6.466 8.145 -30.460 1.00 0.00 C ATOM 269 NZ LYS A 95 5.231 8.583 -29.751 1.00 0.00 N ATOM 0 H LYS A 95 9.659 8.293 -26.271 1.00 0.00 H new ATOM 0 HA LYS A 95 9.279 10.963 -27.443 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.417 10.149 -28.841 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.903 9.346 -29.307 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.174 7.516 -27.526 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.582 8.228 -27.695 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.294 7.100 -29.969 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.852 6.359 -29.304 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.023 9.013 -30.814 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.205 7.554 -31.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.462 8.709 -30.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.957 7.862 -29.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.411 9.484 -29.264 1.00 0.00 H new ATOM 283 N GLN A 96 7.573 11.335 -25.699 1.00 0.00 N ATOM 284 CA GLN A 96 6.610 11.580 -24.629 1.00 0.00 C ATOM 285 C GLN A 96 5.192 11.677 -25.191 1.00 0.00 C ATOM 286 O GLN A 96 4.990 12.195 -26.286 1.00 0.00 O ATOM 287 CB GLN A 96 6.968 12.874 -23.896 1.00 0.00 C ATOM 288 CG GLN A 96 6.925 14.045 -24.878 1.00 0.00 C ATOM 289 CD GLN A 96 7.640 15.253 -24.286 1.00 0.00 C ATOM 290 OE1 GLN A 96 8.870 15.284 -24.237 1.00 0.00 O ATOM 291 NE2 GLN A 96 6.941 16.256 -23.828 1.00 0.00 N ATOM 0 H GLN A 96 8.008 12.175 -26.081 1.00 0.00 H new ATOM 0 HA GLN A 96 6.649 10.745 -23.929 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.269 13.046 -23.078 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.961 12.792 -23.455 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.397 13.759 -25.818 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.890 14.301 -25.105 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.922 16.229 -23.869 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.414 17.067 -23.429 1.00 0.00 H new ATOM 300 N ARG A 97 4.228 11.171 -24.430 1.00 0.00 N ATOM 301 CA ARG A 97 2.833 11.204 -24.857 1.00 0.00 C ATOM 302 C ARG A 97 2.270 12.618 -24.729 1.00 0.00 C ATOM 303 O ARG A 97 2.423 13.266 -23.695 1.00 0.00 O ATOM 304 CB ARG A 97 2.000 10.242 -24.017 1.00 0.00 C ATOM 305 CG ARG A 97 1.473 9.116 -24.905 1.00 0.00 C ATOM 306 CD ARG A 97 0.693 8.117 -24.053 1.00 0.00 C ATOM 307 NE ARG A 97 1.588 7.093 -23.525 1.00 0.00 N ATOM 308 CZ ARG A 97 1.114 6.022 -22.896 1.00 0.00 C ATOM 309 NH1 ARG A 97 -0.174 5.873 -22.743 1.00 0.00 N ATOM 310 NH2 ARG A 97 1.935 5.118 -22.439 1.00 0.00 N ATOM 0 H ARG A 97 4.384 10.736 -23.521 1.00 0.00 H new ATOM 0 HA ARG A 97 2.787 10.897 -25.902 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.605 9.830 -23.209 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.169 10.773 -23.553 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.830 9.524 -25.685 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.302 8.615 -25.405 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.200 8.637 -23.232 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.090 7.652 -24.652 1.00 0.00 H new ATOM 0 HE ARG A 97 2.596 7.201 -23.641 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.816 6.578 -23.106 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.539 5.052 -22.261 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.941 5.233 -22.564 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.571 4.296 -21.956 1.00 0.00 H new ATOM 324 N LEU A 98 1.631 13.093 -25.792 1.00 0.00 N ATOM 325 CA LEU A 98 1.065 14.435 -25.788 1.00 0.00 C ATOM 326 C LEU A 98 -0.435 14.386 -25.539 1.00 0.00 C ATOM 327 O LEU A 98 -1.014 15.339 -25.010 1.00 0.00 O ATOM 328 CB LEU A 98 1.330 15.116 -27.137 1.00 0.00 C ATOM 329 CG LEU A 98 2.760 15.662 -27.166 1.00 0.00 C ATOM 330 CD1 LEU A 98 3.751 14.502 -27.079 1.00 0.00 C ATOM 331 CD2 LEU A 98 2.989 16.428 -28.470 1.00 0.00 C ATOM 0 H LEU A 98 1.493 12.574 -26.659 1.00 0.00 H new ATOM 0 HA LEU A 98 1.538 15.003 -24.987 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.186 14.404 -27.950 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.618 15.926 -27.293 1.00 0.00 H new ATOM 0 HG LEU A 98 2.908 16.332 -26.319 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.769 14.891 -27.100 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.590 13.955 -26.150 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.601 13.831 -27.925 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.007 16.816 -28.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.840 15.758 -29.317 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.283 17.256 -28.534 1.00 0.00 H new ATOM 343 N PHE A 99 -1.061 13.278 -25.923 1.00 0.00 N ATOM 344 CA PHE A 99 -2.500 13.137 -25.748 1.00 0.00 C ATOM 345 C PHE A 99 -2.828 11.854 -24.990 1.00 0.00 C ATOM 346 O PHE A 99 -2.225 10.806 -25.236 1.00 0.00 O ATOM 347 CB PHE A 99 -3.175 13.086 -27.126 1.00 0.00 C ATOM 348 CG PHE A 99 -2.648 14.209 -27.987 1.00 0.00 C ATOM 349 CD1 PHE A 99 -1.439 14.042 -28.677 1.00 0.00 C ATOM 350 CD2 PHE A 99 -3.359 15.408 -28.103 1.00 0.00 C ATOM 351 CE1 PHE A 99 -0.940 15.077 -29.478 1.00 0.00 C ATOM 352 CE2 PHE A 99 -2.861 16.443 -28.905 1.00 0.00 C ATOM 353 CZ PHE A 99 -1.652 16.277 -29.592 1.00 0.00 C ATOM 0 H PHE A 99 -0.601 12.475 -26.352 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.866 13.990 -25.176 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.980 12.126 -27.603 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.256 13.174 -27.017 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.892 13.115 -28.591 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.292 15.536 -27.574 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.007 14.949 -30.007 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.410 17.369 -28.994 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.269 17.075 -30.210 1.00 0.00 H new ATOM 363 N GLY A 100 -3.784 11.946 -24.074 1.00 0.00 N ATOM 364 CA GLY A 100 -4.193 10.790 -23.288 1.00 0.00 C ATOM 365 C GLY A 100 -4.240 11.120 -21.802 1.00 0.00 C ATOM 366 O GLY A 100 -3.349 11.784 -21.275 1.00 0.00 O ATOM 0 H GLY A 100 -4.289 12.806 -23.858 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.175 10.452 -23.619 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.498 9.967 -23.458 1.00 0.00 H new ATOM 370 N LYS A 101 -5.283 10.640 -21.127 1.00 0.00 N ATOM 371 CA LYS A 101 -5.430 10.884 -19.697 1.00 0.00 C ATOM 372 C LYS A 101 -4.229 10.325 -18.937 1.00 0.00 C ATOM 373 O LYS A 101 -3.855 10.842 -17.884 1.00 0.00 O ATOM 374 CB LYS A 101 -6.716 10.230 -19.190 1.00 0.00 C ATOM 375 CG LYS A 101 -6.637 8.714 -19.398 1.00 0.00 C ATOM 376 CD LYS A 101 -7.948 8.069 -18.951 1.00 0.00 C ATOM 377 CE LYS A 101 -7.862 6.553 -19.143 1.00 0.00 C ATOM 378 NZ LYS A 101 -7.694 6.246 -20.592 1.00 0.00 N ATOM 0 H LYS A 101 -6.031 10.086 -21.544 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.482 11.959 -19.527 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.859 10.455 -18.133 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.577 10.636 -19.722 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.448 8.490 -20.448 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.804 8.301 -18.829 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.143 8.303 -17.904 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.780 8.473 -19.528 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.023 6.150 -18.575 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.764 6.075 -18.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.954 5.255 -20.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.308 6.870 -21.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.703 6.399 -20.867 1.00 0.00 H new ATOM 392 N THR A 102 -3.633 9.265 -19.478 1.00 0.00 N ATOM 393 CA THR A 102 -2.477 8.647 -18.840 1.00 0.00 C ATOM 394 C THR A 102 -1.202 9.365 -19.255 1.00 0.00 C ATOM 395 O THR A 102 -0.122 9.075 -18.742 1.00 0.00 O ATOM 396 CB THR A 102 -2.382 7.174 -19.238 1.00 0.00 C ATOM 397 OG1 THR A 102 -2.144 7.078 -20.635 1.00 0.00 O ATOM 398 CG2 THR A 102 -3.694 6.468 -18.893 1.00 0.00 C ATOM 0 H THR A 102 -3.929 8.821 -20.347 1.00 0.00 H new ATOM 0 HA THR A 102 -2.597 8.722 -17.759 1.00 0.00 H new ATOM 0 HB THR A 102 -1.563 6.701 -18.696 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.081 6.134 -20.892 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.627 5.418 -19.176 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.877 6.544 -17.821 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.514 6.939 -19.435 1.00 0.00 H new ATOM 406 N ALA A 103 -1.329 10.307 -20.189 1.00 0.00 N ATOM 407 CA ALA A 103 -0.177 11.065 -20.666 1.00 0.00 C ATOM 408 C ALA A 103 0.768 11.399 -19.510 1.00 0.00 C ATOM 409 O ALA A 103 0.386 11.307 -18.347 1.00 0.00 O ATOM 410 CB ALA A 103 -0.645 12.360 -21.333 1.00 0.00 C ATOM 0 H ALA A 103 -2.214 10.561 -20.627 1.00 0.00 H new ATOM 0 HA ALA A 103 0.359 10.453 -21.391 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.220 12.921 -21.687 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.292 12.121 -22.177 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.197 12.962 -20.611 1.00 0.00 H new ATOM 416 N GLY A 104 1.995 11.769 -19.849 1.00 0.00 N ATOM 417 CA GLY A 104 2.993 12.099 -18.838 1.00 0.00 C ATOM 418 C GLY A 104 4.041 10.997 -18.727 1.00 0.00 C ATOM 419 O GLY A 104 5.143 11.228 -18.235 1.00 0.00 O ATOM 0 H GLY A 104 2.324 11.848 -20.811 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.477 13.042 -19.093 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.506 12.241 -17.873 1.00 0.00 H new ATOM 423 N ARG A 105 3.694 9.804 -19.203 1.00 0.00 N ATOM 424 CA ARG A 105 4.621 8.678 -19.171 1.00 0.00 C ATOM 425 C ARG A 105 5.615 8.774 -20.325 1.00 0.00 C ATOM 426 O ARG A 105 5.355 9.439 -21.328 1.00 0.00 O ATOM 427 CB ARG A 105 3.853 7.362 -19.261 1.00 0.00 C ATOM 428 CG ARG A 105 3.078 7.134 -17.962 1.00 0.00 C ATOM 429 CD ARG A 105 2.128 5.949 -18.135 1.00 0.00 C ATOM 430 NE ARG A 105 1.474 5.638 -16.870 1.00 0.00 N ATOM 431 CZ ARG A 105 0.436 4.809 -16.818 1.00 0.00 C ATOM 432 NH1 ARG A 105 -0.017 4.262 -17.913 1.00 0.00 N ATOM 433 NH2 ARG A 105 -0.131 4.544 -15.673 1.00 0.00 N ATOM 0 H ARG A 105 2.784 9.593 -19.613 1.00 0.00 H new ATOM 0 HA ARG A 105 5.169 8.709 -18.229 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.166 7.386 -20.107 1.00 0.00 H new ATOM 0 HB3 ARG A 105 4.544 6.537 -19.435 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.770 6.942 -17.142 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.515 8.030 -17.700 1.00 0.00 H new ATOM 0 HD2 ARG A 105 1.379 6.182 -18.892 1.00 0.00 H new ATOM 0 HD3 ARG A 105 2.681 5.079 -18.490 1.00 0.00 H new ATOM 0 HE ARG A 105 1.819 6.064 -16.010 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.425 4.471 -18.808 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.813 3.626 -17.874 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.222 4.973 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.927 3.908 -15.633 1.00 0.00 H new ATOM 447 N PHE A 106 6.754 8.107 -20.174 1.00 0.00 N ATOM 448 CA PHE A 106 7.783 8.128 -21.209 1.00 0.00 C ATOM 449 C PHE A 106 7.838 6.795 -21.945 1.00 0.00 C ATOM 450 O PHE A 106 7.887 5.735 -21.321 1.00 0.00 O ATOM 451 CB PHE A 106 9.148 8.421 -20.579 1.00 0.00 C ATOM 452 CG PHE A 106 9.191 9.854 -20.107 1.00 0.00 C ATOM 453 CD1 PHE A 106 9.567 10.870 -20.995 1.00 0.00 C ATOM 454 CD2 PHE A 106 8.854 10.169 -18.786 1.00 0.00 C ATOM 455 CE1 PHE A 106 9.608 12.201 -20.560 1.00 0.00 C ATOM 456 CE2 PHE A 106 8.893 11.501 -18.351 1.00 0.00 C ATOM 457 CZ PHE A 106 9.270 12.516 -19.239 1.00 0.00 C ATOM 0 H PHE A 106 6.988 7.549 -19.353 1.00 0.00 H new ATOM 0 HA PHE A 106 7.533 8.912 -21.924 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.326 7.746 -19.742 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.941 8.243 -21.306 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.825 10.627 -22.015 1.00 0.00 H new ATOM 0 HD2 PHE A 106 8.564 9.386 -18.101 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.900 12.984 -21.244 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.632 11.744 -17.332 1.00 0.00 H new ATOM 0 HZ PHE A 106 9.300 13.542 -18.904 1.00 0.00 H new ATOM 467 N ASP A 107 7.833 6.857 -23.274 1.00 0.00 N ATOM 468 CA ASP A 107 7.891 5.646 -24.090 1.00 0.00 C ATOM 469 C ASP A 107 9.240 5.552 -24.800 1.00 0.00 C ATOM 470 O ASP A 107 9.675 6.501 -25.451 1.00 0.00 O ATOM 471 CB ASP A 107 6.760 5.653 -25.117 1.00 0.00 C ATOM 472 CG ASP A 107 5.414 5.774 -24.412 1.00 0.00 C ATOM 473 OD1 ASP A 107 4.854 4.747 -24.069 1.00 0.00 O ATOM 474 OD2 ASP A 107 4.964 6.892 -24.221 1.00 0.00 O ATOM 0 H ASP A 107 7.790 7.726 -23.806 1.00 0.00 H new ATOM 0 HA ASP A 107 7.775 4.779 -23.440 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.892 6.484 -25.810 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.789 4.737 -25.708 1.00 0.00 H new ATOM 479 N VAL A 108 9.893 4.401 -24.663 1.00 0.00 N ATOM 480 CA VAL A 108 11.191 4.199 -25.289 1.00 0.00 C ATOM 481 C VAL A 108 11.320 2.778 -25.830 1.00 0.00 C ATOM 482 O VAL A 108 10.710 1.850 -25.304 1.00 0.00 O ATOM 483 CB VAL A 108 12.296 4.453 -24.260 1.00 0.00 C ATOM 484 CG1 VAL A 108 12.045 5.790 -23.556 1.00 0.00 C ATOM 485 CG2 VAL A 108 12.303 3.328 -23.224 1.00 0.00 C ATOM 0 H VAL A 108 9.547 3.603 -24.130 1.00 0.00 H new ATOM 0 HA VAL A 108 11.286 4.896 -26.121 1.00 0.00 H new ATOM 0 HB VAL A 108 13.260 4.484 -24.769 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.832 5.969 -22.824 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.044 6.594 -24.292 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.080 5.759 -23.051 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.090 3.511 -22.493 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.338 3.294 -22.717 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.485 2.376 -23.722 1.00 0.00 H new ATOM 495 N TYR A 109 12.129 2.618 -26.872 1.00 0.00 N ATOM 496 CA TYR A 109 12.348 1.305 -27.465 1.00 0.00 C ATOM 497 C TYR A 109 13.675 1.273 -28.212 1.00 0.00 C ATOM 498 O TYR A 109 14.206 2.315 -28.594 1.00 0.00 O ATOM 499 CB TYR A 109 11.202 0.952 -28.406 1.00 0.00 C ATOM 500 CG TYR A 109 10.842 2.161 -29.229 1.00 0.00 C ATOM 501 CD1 TYR A 109 11.529 2.433 -30.417 1.00 0.00 C ATOM 502 CD2 TYR A 109 9.817 3.014 -28.802 1.00 0.00 C ATOM 503 CE1 TYR A 109 11.191 3.558 -31.179 1.00 0.00 C ATOM 504 CE2 TYR A 109 9.480 4.140 -29.564 1.00 0.00 C ATOM 505 CZ TYR A 109 10.166 4.412 -30.752 1.00 0.00 C ATOM 506 OH TYR A 109 9.833 5.520 -31.503 1.00 0.00 O ATOM 0 H TYR A 109 12.641 3.377 -27.321 1.00 0.00 H new ATOM 0 HA TYR A 109 12.383 0.565 -26.665 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.492 0.128 -29.058 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.337 0.617 -27.834 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.320 1.775 -30.746 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.286 2.804 -27.885 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.721 3.767 -32.096 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.690 4.798 -29.234 1.00 0.00 H new ATOM 0 HH TYR A 109 8.864 5.539 -31.646 1.00 0.00 H new ATOM 516 N PHE A 110 14.204 0.070 -28.421 1.00 0.00 N ATOM 517 CA PHE A 110 15.476 -0.081 -29.120 1.00 0.00 C ATOM 518 C PHE A 110 15.259 -0.595 -30.535 1.00 0.00 C ATOM 519 O PHE A 110 14.438 -1.484 -30.760 1.00 0.00 O ATOM 520 CB PHE A 110 16.371 -1.058 -28.350 1.00 0.00 C ATOM 521 CG PHE A 110 15.514 -2.067 -27.622 1.00 0.00 C ATOM 522 CD1 PHE A 110 14.892 -1.712 -26.418 1.00 0.00 C ATOM 523 CD2 PHE A 110 15.338 -3.351 -28.148 1.00 0.00 C ATOM 524 CE1 PHE A 110 14.095 -2.642 -25.740 1.00 0.00 C ATOM 525 CE2 PHE A 110 14.541 -4.281 -27.470 1.00 0.00 C ATOM 526 CZ PHE A 110 13.920 -3.926 -26.267 1.00 0.00 C ATOM 0 H PHE A 110 13.776 -0.806 -28.120 1.00 0.00 H new ATOM 0 HA PHE A 110 15.958 0.895 -29.177 1.00 0.00 H new ATOM 0 HB2 PHE A 110 17.045 -1.568 -29.038 1.00 0.00 H new ATOM 0 HB3 PHE A 110 16.993 -0.514 -27.639 1.00 0.00 H new ATOM 0 HD1 PHE A 110 15.027 -0.720 -26.013 1.00 0.00 H new ATOM 0 HD2 PHE A 110 15.817 -3.625 -29.077 1.00 0.00 H new ATOM 0 HE1 PHE A 110 13.616 -2.369 -24.811 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.405 -5.273 -27.875 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.305 -4.644 -25.745 1.00 0.00 H new ATOM 536 N ILE A 111 15.998 -0.026 -31.484 1.00 0.00 N ATOM 537 CA ILE A 111 15.872 -0.434 -32.879 1.00 0.00 C ATOM 538 C ILE A 111 17.169 -1.074 -33.361 1.00 0.00 C ATOM 539 O ILE A 111 18.232 -0.449 -33.336 1.00 0.00 O ATOM 540 CB ILE A 111 15.550 0.781 -33.750 1.00 0.00 C ATOM 541 CG1 ILE A 111 14.283 1.459 -33.229 1.00 0.00 C ATOM 542 CG2 ILE A 111 15.322 0.323 -35.193 1.00 0.00 C ATOM 543 CD1 ILE A 111 14.091 2.801 -33.937 1.00 0.00 C ATOM 0 H ILE A 111 16.683 0.711 -31.315 1.00 0.00 H new ATOM 0 HA ILE A 111 15.064 -1.162 -32.957 1.00 0.00 H new ATOM 0 HB ILE A 111 16.381 1.485 -33.715 1.00 0.00 H new ATOM 0 HG12 ILE A 111 13.418 0.818 -33.402 1.00 0.00 H new ATOM 0 HG13 ILE A 111 14.357 1.612 -32.152 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.092 1.187 -35.817 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.222 -0.165 -35.566 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.489 -0.379 -35.225 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.187 3.283 -33.564 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.951 3.442 -33.742 1.00 0.00 H new ATOM 0 HD13 ILE A 111 13.998 2.636 -35.010 1.00 0.00 H new ATOM 555 N SER A 112 17.076 -2.327 -33.799 1.00 0.00 N ATOM 556 CA SER A 112 18.246 -3.043 -34.275 1.00 0.00 C ATOM 557 C SER A 112 18.608 -2.594 -35.690 1.00 0.00 C ATOM 558 O SER A 112 17.788 -2.005 -36.394 1.00 0.00 O ATOM 559 CB SER A 112 17.978 -4.550 -34.275 1.00 0.00 C ATOM 560 OG SER A 112 16.876 -4.825 -33.424 1.00 0.00 O ATOM 0 H SER A 112 16.207 -2.860 -33.832 1.00 0.00 H new ATOM 0 HA SER A 112 19.078 -2.822 -33.606 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.767 -4.894 -35.287 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.861 -5.089 -33.933 1.00 0.00 H new ATOM 0 HG SER A 112 17.199 -5.226 -32.590 1.00 0.00 H new ATOM 566 N PRO A 113 19.810 -2.864 -36.110 1.00 0.00 N ATOM 567 CA PRO A 113 20.297 -2.486 -37.470 1.00 0.00 C ATOM 568 C PRO A 113 19.412 -3.059 -38.576 1.00 0.00 C ATOM 569 O PRO A 113 19.449 -2.597 -39.717 1.00 0.00 O ATOM 570 CB PRO A 113 21.705 -3.092 -37.539 1.00 0.00 C ATOM 571 CG PRO A 113 22.122 -3.285 -36.121 1.00 0.00 C ATOM 572 CD PRO A 113 20.851 -3.562 -35.336 1.00 0.00 C ATOM 0 HA PRO A 113 20.284 -1.406 -37.620 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.699 -4.039 -38.079 1.00 0.00 H new ATOM 0 HB3 PRO A 113 22.393 -2.429 -38.064 1.00 0.00 H new ATOM 0 HG2 PRO A 113 22.823 -4.115 -36.031 1.00 0.00 H new ATOM 0 HG3 PRO A 113 22.628 -2.398 -35.741 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.649 -4.631 -35.264 1.00 0.00 H new ATOM 0 HD3 PRO A 113 20.917 -3.180 -34.317 1.00 0.00 H new ATOM 580 N GLN A 114 18.619 -4.069 -38.231 1.00 0.00 N ATOM 581 CA GLN A 114 17.736 -4.699 -39.207 1.00 0.00 C ATOM 582 C GLN A 114 16.566 -3.782 -39.544 1.00 0.00 C ATOM 583 O GLN A 114 15.913 -3.945 -40.575 1.00 0.00 O ATOM 584 CB GLN A 114 17.202 -6.019 -38.643 1.00 0.00 C ATOM 585 CG GLN A 114 18.371 -6.958 -38.341 1.00 0.00 C ATOM 586 CD GLN A 114 19.129 -7.285 -39.623 1.00 0.00 C ATOM 587 OE1 GLN A 114 18.539 -7.789 -40.579 1.00 0.00 O ATOM 588 NE2 GLN A 114 20.404 -7.023 -39.703 1.00 0.00 N ATOM 0 H GLN A 114 18.569 -4.466 -37.293 1.00 0.00 H new ATOM 0 HA GLN A 114 18.306 -4.890 -40.116 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.628 -5.833 -37.735 1.00 0.00 H new ATOM 0 HB3 GLN A 114 16.524 -6.484 -39.359 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.044 -6.493 -37.621 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.001 -7.876 -37.885 1.00 0.00 H new ATOM 0 HE21 GLN A 114 20.890 -6.605 -38.909 1.00 0.00 H new ATOM 0 HE22 GLN A 114 20.916 -7.236 -40.559 1.00 0.00 H new ATOM 597 N GLY A 115 16.309 -2.812 -38.672 1.00 0.00 N ATOM 598 CA GLY A 115 15.215 -1.872 -38.890 1.00 0.00 C ATOM 599 C GLY A 115 13.946 -2.336 -38.186 1.00 0.00 C ATOM 600 O GLY A 115 12.881 -1.739 -38.343 1.00 0.00 O ATOM 0 H GLY A 115 16.839 -2.657 -37.814 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.499 -0.886 -38.522 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.026 -1.771 -39.959 1.00 0.00 H new ATOM 604 N LEU A 116 14.065 -3.405 -37.408 1.00 0.00 N ATOM 605 CA LEU A 116 12.921 -3.940 -36.679 1.00 0.00 C ATOM 606 C LEU A 116 12.704 -3.164 -35.383 1.00 0.00 C ATOM 607 O LEU A 116 13.650 -2.635 -34.802 1.00 0.00 O ATOM 608 CB LEU A 116 13.145 -5.420 -36.360 1.00 0.00 C ATOM 609 CG LEU A 116 14.419 -5.572 -35.519 1.00 0.00 C ATOM 610 CD1 LEU A 116 14.104 -5.313 -34.043 1.00 0.00 C ATOM 611 CD2 LEU A 116 14.968 -6.992 -35.679 1.00 0.00 C ATOM 0 H LEU A 116 14.936 -3.916 -37.266 1.00 0.00 H new ATOM 0 HA LEU A 116 12.035 -3.837 -37.306 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.288 -5.820 -35.818 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.235 -5.993 -37.283 1.00 0.00 H new ATOM 0 HG LEU A 116 15.161 -4.850 -35.860 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.013 -5.423 -33.452 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.715 -4.301 -33.926 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.359 -6.030 -33.699 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.873 -7.101 -35.082 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.221 -7.711 -35.341 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.201 -7.176 -36.728 1.00 0.00 H new ATOM 623 N LYS A 117 11.451 -3.092 -34.943 1.00 0.00 N ATOM 624 CA LYS A 117 11.123 -2.371 -33.718 1.00 0.00 C ATOM 625 C LYS A 117 10.502 -3.316 -32.693 1.00 0.00 C ATOM 626 O LYS A 117 9.863 -4.305 -33.050 1.00 0.00 O ATOM 627 CB LYS A 117 10.139 -1.244 -34.026 1.00 0.00 C ATOM 628 CG LYS A 117 10.745 -0.308 -35.075 1.00 0.00 C ATOM 629 CD LYS A 117 9.683 0.682 -35.561 1.00 0.00 C ATOM 630 CE LYS A 117 9.548 1.827 -34.556 1.00 0.00 C ATOM 631 NZ LYS A 117 10.798 2.639 -34.561 1.00 0.00 N ATOM 0 H LYS A 117 10.653 -3.520 -35.412 1.00 0.00 H new ATOM 0 HA LYS A 117 12.042 -1.953 -33.307 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.199 -1.658 -34.392 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.910 -0.688 -33.117 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.591 0.232 -34.649 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.127 -0.887 -35.915 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.959 1.075 -36.540 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.726 0.174 -35.679 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.694 2.453 -34.813 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.363 1.430 -33.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.196 2.670 -33.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.489 2.209 -35.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.583 3.606 -34.877 1.00 0.00 H new ATOM 645 N PHE A 118 10.701 -3.005 -31.417 1.00 0.00 N ATOM 646 CA PHE A 118 10.156 -3.824 -30.340 1.00 0.00 C ATOM 647 C PHE A 118 9.831 -2.970 -29.122 1.00 0.00 C ATOM 648 O PHE A 118 10.460 -1.941 -28.889 1.00 0.00 O ATOM 649 CB PHE A 118 11.146 -4.921 -29.954 1.00 0.00 C ATOM 650 CG PHE A 118 11.044 -6.065 -30.934 1.00 0.00 C ATOM 651 CD1 PHE A 118 9.855 -6.799 -31.025 1.00 0.00 C ATOM 652 CD2 PHE A 118 12.133 -6.394 -31.746 1.00 0.00 C ATOM 653 CE1 PHE A 118 9.756 -7.864 -31.929 1.00 0.00 C ATOM 654 CE2 PHE A 118 12.034 -7.460 -32.650 1.00 0.00 C ATOM 655 CZ PHE A 118 10.845 -8.194 -32.741 1.00 0.00 C ATOM 0 H PHE A 118 11.234 -2.194 -31.103 1.00 0.00 H new ATOM 0 HA PHE A 118 9.235 -4.284 -30.698 1.00 0.00 H new ATOM 0 HB2 PHE A 118 12.161 -4.523 -29.949 1.00 0.00 H new ATOM 0 HB3 PHE A 118 10.937 -5.274 -28.944 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.014 -6.544 -30.398 1.00 0.00 H new ATOM 0 HD2 PHE A 118 13.050 -5.827 -31.677 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.839 -8.430 -31.999 1.00 0.00 H new ATOM 0 HE2 PHE A 118 12.875 -7.716 -33.277 1.00 0.00 H new ATOM 0 HZ PHE A 118 10.769 -9.015 -33.439 1.00 0.00 H new ATOM 665 N ARG A 119 8.840 -3.401 -28.345 1.00 0.00 N ATOM 666 CA ARG A 119 8.446 -2.665 -27.149 1.00 0.00 C ATOM 667 C ARG A 119 8.173 -3.625 -25.995 1.00 0.00 C ATOM 668 O ARG A 119 7.548 -3.255 -25.002 1.00 0.00 O ATOM 669 CB ARG A 119 7.188 -1.844 -27.438 1.00 0.00 C ATOM 670 CG ARG A 119 7.448 -0.913 -28.623 1.00 0.00 C ATOM 671 CD ARG A 119 6.174 -0.137 -28.951 1.00 0.00 C ATOM 672 NE ARG A 119 5.063 -1.060 -29.179 1.00 0.00 N ATOM 673 CZ ARG A 119 3.878 -0.874 -28.596 1.00 0.00 C ATOM 674 NH1 ARG A 119 3.692 0.147 -27.806 1.00 0.00 N ATOM 675 NH2 ARG A 119 2.912 -1.717 -28.813 1.00 0.00 N ATOM 0 H ARG A 119 8.300 -4.248 -28.521 1.00 0.00 H new ATOM 0 HA ARG A 119 9.262 -1.999 -26.867 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.351 -2.507 -27.659 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.910 -1.262 -26.559 1.00 0.00 H new ATOM 0 HG2 ARG A 119 8.256 -0.222 -28.385 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.768 -1.491 -29.490 1.00 0.00 H new ATOM 0 HD2 ARG A 119 5.931 0.540 -28.132 1.00 0.00 H new ATOM 0 HD3 ARG A 119 6.332 0.478 -29.837 1.00 0.00 H new ATOM 0 HE ARG A 119 5.197 -1.861 -29.796 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.453 0.804 -27.634 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.785 0.289 -27.360 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.062 -2.517 -29.427 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.004 -1.578 -28.369 1.00 0.00 H new ATOM 689 N SER A 120 8.645 -4.861 -26.133 1.00 0.00 N ATOM 690 CA SER A 120 8.439 -5.868 -25.098 1.00 0.00 C ATOM 691 C SER A 120 9.690 -6.720 -24.918 1.00 0.00 C ATOM 692 O SER A 120 10.365 -7.061 -25.889 1.00 0.00 O ATOM 693 CB SER A 120 7.259 -6.764 -25.476 1.00 0.00 C ATOM 694 OG SER A 120 7.120 -7.793 -24.506 1.00 0.00 O ATOM 0 H SER A 120 9.169 -5.187 -26.945 1.00 0.00 H new ATOM 0 HA SER A 120 8.226 -5.359 -24.158 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.344 -6.175 -25.531 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.419 -7.198 -26.463 1.00 0.00 H new ATOM 0 HG SER A 120 6.363 -8.368 -24.745 1.00 0.00 H new ATOM 700 N LYS A 121 9.991 -7.060 -23.669 1.00 0.00 N ATOM 701 CA LYS A 121 11.161 -7.875 -23.375 1.00 0.00 C ATOM 702 C LYS A 121 11.038 -9.246 -24.028 1.00 0.00 C ATOM 703 O LYS A 121 11.996 -9.763 -24.599 1.00 0.00 O ATOM 704 CB LYS A 121 11.318 -8.038 -21.860 1.00 0.00 C ATOM 705 CG LYS A 121 12.529 -8.923 -21.563 1.00 0.00 C ATOM 706 CD LYS A 121 12.056 -10.327 -21.178 1.00 0.00 C ATOM 707 CE LYS A 121 13.222 -11.309 -21.289 1.00 0.00 C ATOM 708 NZ LYS A 121 13.554 -11.524 -22.726 1.00 0.00 N ATOM 0 H LYS A 121 9.446 -6.786 -22.852 1.00 0.00 H new ATOM 0 HA LYS A 121 12.040 -7.373 -23.778 1.00 0.00 H new ATOM 0 HB2 LYS A 121 11.444 -7.063 -21.390 1.00 0.00 H new ATOM 0 HB3 LYS A 121 10.417 -8.482 -21.436 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.178 -8.974 -22.437 1.00 0.00 H new ATOM 0 HG3 LYS A 121 13.118 -8.492 -20.753 1.00 0.00 H new ATOM 0 HD2 LYS A 121 11.666 -10.324 -20.160 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.241 -10.639 -21.831 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.091 -10.920 -20.758 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.959 -12.257 -20.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.186 -12.345 -22.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.680 -11.699 -23.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.027 -10.678 -23.103 1.00 0.00 H new ATOM 722 N SER A 122 9.852 -9.842 -23.926 1.00 0.00 N ATOM 723 CA SER A 122 9.628 -11.165 -24.502 1.00 0.00 C ATOM 724 C SER A 122 9.824 -11.132 -26.013 1.00 0.00 C ATOM 725 O SER A 122 10.592 -11.920 -26.564 1.00 0.00 O ATOM 726 CB SER A 122 8.204 -11.626 -24.187 1.00 0.00 C ATOM 727 OG SER A 122 7.993 -12.916 -24.747 1.00 0.00 O ATOM 0 H SER A 122 9.042 -9.437 -23.457 1.00 0.00 H new ATOM 0 HA SER A 122 10.348 -11.859 -24.068 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.049 -11.655 -23.108 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.482 -10.918 -24.594 1.00 0.00 H new ATOM 0 HG SER A 122 7.082 -13.215 -24.546 1.00 0.00 H new ATOM 733 N SER A 123 9.142 -10.206 -26.675 1.00 0.00 N ATOM 734 CA SER A 123 9.251 -10.087 -28.126 1.00 0.00 C ATOM 735 C SER A 123 10.715 -10.091 -28.549 1.00 0.00 C ATOM 736 O SER A 123 11.074 -10.685 -29.565 1.00 0.00 O ATOM 737 CB SER A 123 8.598 -8.781 -28.586 1.00 0.00 C ATOM 738 OG SER A 123 9.270 -7.682 -27.982 1.00 0.00 O ATOM 0 H SER A 123 8.513 -9.532 -26.237 1.00 0.00 H new ATOM 0 HA SER A 123 8.744 -10.936 -28.585 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.646 -8.699 -29.672 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.543 -8.772 -28.312 1.00 0.00 H new ATOM 0 HG SER A 123 9.545 -7.926 -27.074 1.00 0.00 H new ATOM 744 N LEU A 124 11.560 -9.444 -27.755 1.00 0.00 N ATOM 745 CA LEU A 124 12.985 -9.399 -28.049 1.00 0.00 C ATOM 746 C LEU A 124 13.586 -10.802 -28.013 1.00 0.00 C ATOM 747 O LEU A 124 14.393 -11.162 -28.869 1.00 0.00 O ATOM 748 CB LEU A 124 13.703 -8.498 -27.041 1.00 0.00 C ATOM 749 CG LEU A 124 15.204 -8.487 -27.335 1.00 0.00 C ATOM 750 CD1 LEU A 124 15.445 -7.973 -28.754 1.00 0.00 C ATOM 751 CD2 LEU A 124 15.909 -7.573 -26.336 1.00 0.00 C ATOM 0 H LEU A 124 11.284 -8.947 -26.908 1.00 0.00 H new ATOM 0 HA LEU A 124 13.117 -8.990 -29.051 1.00 0.00 H new ATOM 0 HB2 LEU A 124 13.305 -7.485 -27.096 1.00 0.00 H new ATOM 0 HB3 LEU A 124 13.524 -8.856 -26.027 1.00 0.00 H new ATOM 0 HG LEU A 124 15.599 -9.499 -27.246 1.00 0.00 H new ATOM 0 HD11 LEU A 124 16.515 -7.966 -28.962 1.00 0.00 H new ATOM 0 HD12 LEU A 124 14.941 -8.625 -29.468 1.00 0.00 H new ATOM 0 HD13 LEU A 124 15.051 -6.961 -28.846 1.00 0.00 H new ATOM 0 HD21 LEU A 124 16.979 -7.564 -26.544 1.00 0.00 H new ATOM 0 HD22 LEU A 124 15.513 -6.561 -26.426 1.00 0.00 H new ATOM 0 HD23 LEU A 124 15.739 -7.940 -25.324 1.00 0.00 H new ATOM 763 N ALA A 125 13.195 -11.581 -27.016 1.00 0.00 N ATOM 764 CA ALA A 125 13.700 -12.939 -26.875 1.00 0.00 C ATOM 765 C ALA A 125 13.344 -13.767 -28.109 1.00 0.00 C ATOM 766 O ALA A 125 14.071 -14.690 -28.481 1.00 0.00 O ATOM 767 CB ALA A 125 13.102 -13.596 -25.627 1.00 0.00 C ATOM 0 H ALA A 125 12.532 -11.298 -26.295 1.00 0.00 H new ATOM 0 HA ALA A 125 14.785 -12.897 -26.775 1.00 0.00 H new ATOM 0 HB1 ALA A 125 13.486 -14.611 -25.531 1.00 0.00 H new ATOM 0 HB2 ALA A 125 13.378 -13.019 -24.744 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.016 -13.626 -25.716 1.00 0.00 H new ATOM 773 N ASN A 126 12.220 -13.428 -28.737 1.00 0.00 N ATOM 774 CA ASN A 126 11.780 -14.144 -29.934 1.00 0.00 C ATOM 775 C ASN A 126 12.648 -13.768 -31.134 1.00 0.00 C ATOM 776 O ASN A 126 13.120 -14.633 -31.860 1.00 0.00 O ATOM 777 CB ASN A 126 10.319 -13.816 -30.228 1.00 0.00 C ATOM 778 CG ASN A 126 9.420 -14.467 -29.185 1.00 0.00 C ATOM 779 OD1 ASN A 126 9.828 -15.416 -28.515 1.00 0.00 O ATOM 780 ND2 ASN A 126 8.211 -14.011 -29.005 1.00 0.00 N ATOM 0 H ASN A 126 11.603 -12.671 -28.442 1.00 0.00 H new ATOM 0 HA ASN A 126 11.880 -15.214 -29.754 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.172 -12.736 -30.224 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.051 -14.170 -31.223 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.602 -14.441 -28.308 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.874 -13.225 -29.561 1.00 0.00 H new ATOM 787 N TYR A 127 12.861 -12.469 -31.321 1.00 0.00 N ATOM 788 CA TYR A 127 13.676 -11.988 -32.428 1.00 0.00 C ATOM 789 C TYR A 127 15.047 -12.649 -32.393 1.00 0.00 C ATOM 790 O TYR A 127 15.566 -13.079 -33.422 1.00 0.00 O ATOM 791 CB TYR A 127 13.833 -10.469 -32.340 1.00 0.00 C ATOM 792 CG TYR A 127 15.031 -10.043 -33.154 1.00 0.00 C ATOM 793 CD1 TYR A 127 14.985 -10.094 -34.550 1.00 0.00 C ATOM 794 CD2 TYR A 127 16.189 -9.592 -32.509 1.00 0.00 C ATOM 795 CE1 TYR A 127 16.098 -9.695 -35.303 1.00 0.00 C ATOM 796 CE2 TYR A 127 17.300 -9.195 -33.256 1.00 0.00 C ATOM 797 CZ TYR A 127 17.256 -9.246 -34.655 1.00 0.00 C ATOM 798 OH TYR A 127 18.352 -8.855 -35.397 1.00 0.00 O ATOM 0 H TYR A 127 12.482 -11.735 -30.723 1.00 0.00 H new ATOM 0 HA TYR A 127 13.181 -12.243 -33.365 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.934 -9.977 -32.710 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.958 -10.164 -31.301 1.00 0.00 H new ATOM 0 HD1 TYR A 127 14.092 -10.441 -35.049 1.00 0.00 H new ATOM 0 HD2 TYR A 127 16.223 -9.551 -31.430 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.063 -9.734 -36.382 1.00 0.00 H new ATOM 0 HE2 TYR A 127 18.192 -8.849 -32.756 1.00 0.00 H new ATOM 0 HH TYR A 127 19.070 -8.570 -34.794 1.00 0.00 H new ATOM 808 N LEU A 128 15.629 -12.729 -31.202 1.00 0.00 N ATOM 809 CA LEU A 128 16.941 -13.343 -31.051 1.00 0.00 C ATOM 810 C LEU A 128 16.940 -14.765 -31.599 1.00 0.00 C ATOM 811 O LEU A 128 17.840 -15.151 -32.345 1.00 0.00 O ATOM 812 CB LEU A 128 17.336 -13.372 -29.570 1.00 0.00 C ATOM 813 CG LEU A 128 18.285 -12.212 -29.260 1.00 0.00 C ATOM 814 CD1 LEU A 128 17.476 -10.961 -28.935 1.00 0.00 C ATOM 815 CD2 LEU A 128 19.163 -12.581 -28.065 1.00 0.00 C ATOM 0 H LEU A 128 15.218 -12.380 -30.336 1.00 0.00 H new ATOM 0 HA LEU A 128 17.662 -12.749 -31.614 1.00 0.00 H new ATOM 0 HB2 LEU A 128 16.445 -13.301 -28.946 1.00 0.00 H new ATOM 0 HB3 LEU A 128 17.817 -14.320 -29.332 1.00 0.00 H new ATOM 0 HG LEU A 128 18.915 -12.016 -30.127 1.00 0.00 H new ATOM 0 HD11 LEU A 128 18.154 -10.136 -28.715 1.00 0.00 H new ATOM 0 HD12 LEU A 128 16.852 -10.699 -29.789 1.00 0.00 H new ATOM 0 HD13 LEU A 128 16.843 -11.152 -28.068 1.00 0.00 H new ATOM 0 HD21 LEU A 128 19.840 -11.756 -27.842 1.00 0.00 H new ATOM 0 HD22 LEU A 128 18.533 -12.778 -27.198 1.00 0.00 H new ATOM 0 HD23 LEU A 128 19.743 -13.473 -28.302 1.00 0.00 H new ATOM 827 N HIS A 129 15.926 -15.534 -31.230 1.00 0.00 N ATOM 828 CA HIS A 129 15.810 -16.911 -31.698 1.00 0.00 C ATOM 829 C HIS A 129 15.447 -16.949 -33.180 1.00 0.00 C ATOM 830 O HIS A 129 15.893 -17.827 -33.919 1.00 0.00 O ATOM 831 CB HIS A 129 14.752 -17.656 -30.885 1.00 0.00 C ATOM 832 CG HIS A 129 14.688 -19.089 -31.338 1.00 0.00 C ATOM 833 ND1 HIS A 129 15.715 -19.988 -31.094 1.00 0.00 N ATOM 834 CD2 HIS A 129 13.727 -19.795 -32.019 1.00 0.00 C ATOM 835 CE1 HIS A 129 15.351 -21.172 -31.618 1.00 0.00 C ATOM 836 NE2 HIS A 129 14.147 -21.110 -32.195 1.00 0.00 N ATOM 0 H HIS A 129 15.174 -15.231 -30.611 1.00 0.00 H new ATOM 0 HA HIS A 129 16.775 -17.400 -31.564 1.00 0.00 H new ATOM 0 HB2 HIS A 129 14.995 -17.610 -29.823 1.00 0.00 H new ATOM 0 HB3 HIS A 129 13.780 -17.180 -31.011 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.787 -19.391 -32.366 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.958 -22.064 -31.577 1.00 0.00 H new ATOM 0 HE2 HIS A 129 13.644 -21.864 -32.663 1.00 0.00 H new ATOM 845 N LYS A 130 14.615 -16.001 -33.603 1.00 0.00 N ATOM 846 CA LYS A 130 14.184 -15.939 -34.992 1.00 0.00 C ATOM 847 C LYS A 130 15.353 -15.569 -35.903 1.00 0.00 C ATOM 848 O LYS A 130 15.513 -16.138 -36.981 1.00 0.00 O ATOM 849 CB LYS A 130 13.064 -14.907 -35.145 1.00 0.00 C ATOM 850 CG LYS A 130 12.087 -15.370 -36.228 1.00 0.00 C ATOM 851 CD LYS A 130 12.828 -15.517 -37.559 1.00 0.00 C ATOM 852 CE LYS A 130 11.842 -15.344 -38.714 1.00 0.00 C ATOM 853 NZ LYS A 130 10.804 -16.412 -38.646 1.00 0.00 N ATOM 0 H LYS A 130 14.229 -15.270 -33.006 1.00 0.00 H new ATOM 0 HA LYS A 130 13.813 -16.922 -35.282 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.540 -14.780 -34.198 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.483 -13.936 -35.410 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.637 -16.321 -35.944 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.274 -14.651 -36.330 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.621 -14.773 -37.630 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.303 -16.496 -37.616 1.00 0.00 H new ATOM 0 HE2 LYS A 130 11.372 -14.362 -38.661 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.369 -15.394 -39.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 10.292 -16.457 -39.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 11.260 -17.328 -38.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 10.135 -16.197 -37.879 1.00 0.00 H new ATOM 867 N ASN A 131 16.162 -14.612 -35.458 1.00 0.00 N ATOM 868 CA ASN A 131 17.309 -14.171 -36.243 1.00 0.00 C ATOM 869 C ASN A 131 18.466 -15.151 -36.093 1.00 0.00 C ATOM 870 O ASN A 131 19.462 -15.065 -36.810 1.00 0.00 O ATOM 871 CB ASN A 131 17.750 -12.782 -35.787 1.00 0.00 C ATOM 872 CG ASN A 131 18.848 -12.256 -36.706 1.00 0.00 C ATOM 873 OD1 ASN A 131 19.986 -12.722 -36.641 1.00 0.00 O ATOM 874 ND2 ASN A 131 18.576 -11.309 -37.561 1.00 0.00 N ATOM 0 H ASN A 131 16.046 -14.131 -34.566 1.00 0.00 H new ATOM 0 HA ASN A 131 17.016 -14.131 -37.292 1.00 0.00 H new ATOM 0 HB2 ASN A 131 16.900 -12.100 -35.796 1.00 0.00 H new ATOM 0 HB3 ASN A 131 18.113 -12.825 -34.760 1.00 0.00 H new ATOM 0 HD21 ASN A 131 19.307 -10.953 -38.177 1.00 0.00 H new ATOM 0 HD22 ASN A 131 17.633 -10.924 -37.613 1.00 0.00 H new ATOM 881 N GLY A 132 18.328 -16.084 -35.155 1.00 0.00 N ATOM 882 CA GLY A 132 19.369 -17.077 -34.921 1.00 0.00 C ATOM 883 C GLY A 132 20.388 -16.568 -33.909 1.00 0.00 C ATOM 884 O GLY A 132 21.273 -17.307 -33.478 1.00 0.00 O ATOM 0 H GLY A 132 17.512 -16.172 -34.550 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.920 -18.002 -34.558 1.00 0.00 H new ATOM 0 HA3 GLY A 132 19.870 -17.313 -35.860 1.00 0.00 H new ATOM 888 N GLU A 133 20.258 -15.299 -33.532 1.00 0.00 N ATOM 889 CA GLU A 133 21.175 -14.703 -32.568 1.00 0.00 C ATOM 890 C GLU A 133 20.621 -14.837 -31.153 1.00 0.00 C ATOM 891 O GLU A 133 19.715 -14.105 -30.762 1.00 0.00 O ATOM 892 CB GLU A 133 21.387 -13.223 -32.896 1.00 0.00 C ATOM 893 CG GLU A 133 22.180 -13.098 -34.199 1.00 0.00 C ATOM 894 CD GLU A 133 22.281 -11.633 -34.609 1.00 0.00 C ATOM 895 OE1 GLU A 133 21.582 -10.824 -34.021 1.00 0.00 O ATOM 896 OE2 GLU A 133 23.056 -11.342 -35.505 1.00 0.00 O ATOM 0 H GLU A 133 19.533 -14.669 -33.876 1.00 0.00 H new ATOM 0 HA GLU A 133 22.128 -15.228 -32.626 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.425 -12.720 -32.993 1.00 0.00 H new ATOM 0 HB3 GLU A 133 21.923 -12.732 -32.083 1.00 0.00 H new ATOM 0 HG2 GLU A 133 23.178 -13.517 -34.069 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.693 -13.672 -34.987 1.00 0.00 H new ATOM 903 N THR A 134 21.175 -15.776 -30.392 1.00 0.00 N ATOM 904 CA THR A 134 20.730 -15.995 -29.020 1.00 0.00 C ATOM 905 C THR A 134 21.796 -15.529 -28.032 1.00 0.00 C ATOM 906 O THR A 134 21.575 -15.529 -26.821 1.00 0.00 O ATOM 907 CB THR A 134 20.437 -17.479 -28.796 1.00 0.00 C ATOM 908 OG1 THR A 134 21.633 -18.227 -28.966 1.00 0.00 O ATOM 909 CG2 THR A 134 19.391 -17.952 -29.807 1.00 0.00 C ATOM 0 H THR A 134 21.927 -16.393 -30.699 1.00 0.00 H new ATOM 0 HA THR A 134 19.820 -15.418 -28.856 1.00 0.00 H new ATOM 0 HB THR A 134 20.056 -17.626 -27.785 1.00 0.00 H new ATOM 0 HG1 THR A 134 21.447 -19.178 -28.821 1.00 0.00 H new ATOM 0 HG21 THR A 134 19.183 -19.010 -29.647 1.00 0.00 H new ATOM 0 HG22 THR A 134 18.474 -17.378 -29.677 1.00 0.00 H new ATOM 0 HG23 THR A 134 19.770 -17.806 -30.818 1.00 0.00 H new ATOM 917 N SER A 135 22.951 -15.134 -28.559 1.00 0.00 N ATOM 918 CA SER A 135 24.043 -14.665 -27.713 1.00 0.00 C ATOM 919 C SER A 135 23.634 -13.407 -26.954 1.00 0.00 C ATOM 920 O SER A 135 23.958 -13.246 -25.778 1.00 0.00 O ATOM 921 CB SER A 135 25.275 -14.367 -28.568 1.00 0.00 C ATOM 922 OG SER A 135 25.775 -15.582 -29.110 1.00 0.00 O ATOM 0 H SER A 135 23.154 -15.129 -29.559 1.00 0.00 H new ATOM 0 HA SER A 135 24.280 -15.449 -26.993 1.00 0.00 H new ATOM 0 HB2 SER A 135 25.017 -13.676 -29.371 1.00 0.00 H new ATOM 0 HB3 SER A 135 26.042 -13.882 -27.965 1.00 0.00 H new ATOM 0 HG SER A 135 26.564 -15.395 -29.660 1.00 0.00 H new ATOM 928 N LEU A 136 22.915 -12.521 -27.634 1.00 0.00 N ATOM 929 CA LEU A 136 22.467 -11.281 -27.013 1.00 0.00 C ATOM 930 C LEU A 136 21.515 -11.571 -25.860 1.00 0.00 C ATOM 931 O LEU A 136 20.833 -12.594 -25.852 1.00 0.00 O ATOM 932 CB LEU A 136 21.759 -10.403 -28.050 1.00 0.00 C ATOM 933 CG LEU A 136 22.753 -9.398 -28.637 1.00 0.00 C ATOM 934 CD1 LEU A 136 23.174 -8.398 -27.557 1.00 0.00 C ATOM 935 CD2 LEU A 136 23.988 -10.147 -29.150 1.00 0.00 C ATOM 0 H LEU A 136 22.632 -12.637 -28.607 1.00 0.00 H new ATOM 0 HA LEU A 136 23.340 -10.757 -26.626 1.00 0.00 H new ATOM 0 HB2 LEU A 136 21.343 -11.024 -28.843 1.00 0.00 H new ATOM 0 HB3 LEU A 136 20.925 -9.876 -27.587 1.00 0.00 H new ATOM 0 HG LEU A 136 22.282 -8.861 -29.460 1.00 0.00 H new ATOM 0 HD11 LEU A 136 23.882 -7.684 -27.978 1.00 0.00 H new ATOM 0 HD12 LEU A 136 22.296 -7.866 -27.192 1.00 0.00 H new ATOM 0 HD13 LEU A 136 23.645 -8.931 -26.731 1.00 0.00 H new ATOM 0 HD21 LEU A 136 24.698 -9.434 -29.569 1.00 0.00 H new ATOM 0 HD22 LEU A 136 24.457 -10.684 -28.325 1.00 0.00 H new ATOM 0 HD23 LEU A 136 23.689 -10.857 -29.921 1.00 0.00 H new ATOM 947 N LYS A 137 21.483 -10.665 -24.886 1.00 0.00 N ATOM 948 CA LYS A 137 20.618 -10.839 -23.734 1.00 0.00 C ATOM 949 C LYS A 137 19.742 -9.602 -23.524 1.00 0.00 C ATOM 950 O LYS A 137 20.151 -8.484 -23.839 1.00 0.00 O ATOM 951 CB LYS A 137 21.458 -11.087 -22.476 1.00 0.00 C ATOM 952 CG LYS A 137 22.227 -12.400 -22.631 1.00 0.00 C ATOM 953 CD LYS A 137 23.312 -12.487 -21.558 1.00 0.00 C ATOM 954 CE LYS A 137 24.613 -11.888 -22.100 1.00 0.00 C ATOM 955 NZ LYS A 137 25.137 -12.751 -23.197 1.00 0.00 N ATOM 0 H LYS A 137 22.042 -9.812 -24.875 1.00 0.00 H new ATOM 0 HA LYS A 137 19.976 -11.700 -23.918 1.00 0.00 H new ATOM 0 HB2 LYS A 137 22.153 -10.262 -22.320 1.00 0.00 H new ATOM 0 HB3 LYS A 137 20.814 -11.131 -21.598 1.00 0.00 H new ATOM 0 HG2 LYS A 137 21.545 -13.246 -22.542 1.00 0.00 H new ATOM 0 HG3 LYS A 137 22.676 -12.455 -23.623 1.00 0.00 H new ATOM 0 HD2 LYS A 137 22.997 -11.951 -20.663 1.00 0.00 H new ATOM 0 HD3 LYS A 137 23.470 -13.526 -21.268 1.00 0.00 H new ATOM 0 HE2 LYS A 137 24.435 -10.878 -22.470 1.00 0.00 H new ATOM 0 HE3 LYS A 137 25.350 -11.809 -21.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 26.157 -12.584 -23.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 24.974 -13.751 -22.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 24.646 -12.521 -24.084 1.00 0.00 H new ATOM 969 N PRO A 138 18.570 -9.783 -22.973 1.00 0.00 N ATOM 970 CA PRO A 138 17.634 -8.660 -22.683 1.00 0.00 C ATOM 971 C PRO A 138 18.337 -7.510 -21.960 1.00 0.00 C ATOM 972 O PRO A 138 17.946 -6.352 -22.093 1.00 0.00 O ATOM 973 CB PRO A 138 16.582 -9.304 -21.775 1.00 0.00 C ATOM 974 CG PRO A 138 16.589 -10.755 -22.119 1.00 0.00 C ATOM 975 CD PRO A 138 17.993 -11.087 -22.599 1.00 0.00 C ATOM 0 HA PRO A 138 17.217 -8.221 -23.589 1.00 0.00 H new ATOM 0 HB2 PRO A 138 16.824 -9.149 -20.724 1.00 0.00 H new ATOM 0 HB3 PRO A 138 15.598 -8.866 -21.943 1.00 0.00 H new ATOM 0 HG2 PRO A 138 16.324 -11.359 -21.251 1.00 0.00 H new ATOM 0 HG3 PRO A 138 15.854 -10.972 -22.894 1.00 0.00 H new ATOM 0 HD2 PRO A 138 18.577 -11.570 -21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 138 17.972 -11.770 -23.448 1.00 0.00 H new ATOM 983 N GLU A 139 19.377 -7.838 -21.202 1.00 0.00 N ATOM 984 CA GLU A 139 20.132 -6.825 -20.475 1.00 0.00 C ATOM 985 C GLU A 139 20.808 -5.861 -21.450 1.00 0.00 C ATOM 986 O GLU A 139 21.344 -4.828 -21.052 1.00 0.00 O ATOM 987 CB GLU A 139 21.193 -7.492 -19.596 1.00 0.00 C ATOM 988 CG GLU A 139 21.787 -6.455 -18.637 1.00 0.00 C ATOM 989 CD GLU A 139 22.710 -7.140 -17.638 1.00 0.00 C ATOM 990 OE1 GLU A 139 22.924 -8.332 -17.778 1.00 0.00 O ATOM 991 OE2 GLU A 139 23.183 -6.462 -16.739 1.00 0.00 O ATOM 0 H GLU A 139 19.715 -8.792 -21.075 1.00 0.00 H new ATOM 0 HA GLU A 139 19.441 -6.265 -19.845 1.00 0.00 H new ATOM 0 HB2 GLU A 139 20.750 -8.313 -19.032 1.00 0.00 H new ATOM 0 HB3 GLU A 139 21.979 -7.920 -20.218 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.340 -5.702 -19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 139 20.987 -5.935 -18.109 1.00 0.00 H new ATOM 998 N ASP A 140 20.785 -6.213 -22.733 1.00 0.00 N ATOM 999 CA ASP A 140 21.405 -5.374 -23.753 1.00 0.00 C ATOM 1000 C ASP A 140 20.701 -4.026 -23.849 1.00 0.00 C ATOM 1001 O ASP A 140 21.333 -3.007 -24.133 1.00 0.00 O ATOM 1002 CB ASP A 140 21.350 -6.079 -25.109 1.00 0.00 C ATOM 1003 CG ASP A 140 22.195 -5.321 -26.127 1.00 0.00 C ATOM 1004 OD1 ASP A 140 23.396 -5.242 -25.929 1.00 0.00 O ATOM 1005 OD2 ASP A 140 21.628 -4.829 -27.089 1.00 0.00 O ATOM 0 H ASP A 140 20.349 -7.064 -23.088 1.00 0.00 H new ATOM 0 HA ASP A 140 22.444 -5.204 -23.471 1.00 0.00 H new ATOM 0 HB2 ASP A 140 21.715 -7.102 -25.011 1.00 0.00 H new ATOM 0 HB3 ASP A 140 20.318 -6.140 -25.454 1.00 0.00 H new ATOM 1010 N PHE A 141 19.393 -4.028 -23.605 1.00 0.00 N ATOM 1011 CA PHE A 141 18.617 -2.795 -23.664 1.00 0.00 C ATOM 1012 C PHE A 141 18.170 -2.383 -22.265 1.00 0.00 C ATOM 1013 O PHE A 141 17.585 -3.180 -21.530 1.00 0.00 O ATOM 1014 CB PHE A 141 17.389 -2.990 -24.555 1.00 0.00 C ATOM 1015 CG PHE A 141 16.336 -3.764 -23.798 1.00 0.00 C ATOM 1016 CD1 PHE A 141 15.391 -3.081 -23.022 1.00 0.00 C ATOM 1017 CD2 PHE A 141 16.301 -5.161 -23.873 1.00 0.00 C ATOM 1018 CE1 PHE A 141 14.413 -3.795 -22.321 1.00 0.00 C ATOM 1019 CE2 PHE A 141 15.322 -5.875 -23.174 1.00 0.00 C ATOM 1020 CZ PHE A 141 14.378 -5.192 -22.396 1.00 0.00 C ATOM 0 H PHE A 141 18.854 -4.861 -23.367 1.00 0.00 H new ATOM 0 HA PHE A 141 19.246 -2.010 -24.083 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.993 -2.023 -24.864 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.667 -3.525 -25.463 1.00 0.00 H new ATOM 0 HD1 PHE A 141 15.417 -2.003 -22.965 1.00 0.00 H new ATOM 0 HD2 PHE A 141 17.030 -5.688 -24.471 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.685 -3.268 -21.722 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.294 -6.953 -23.234 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.624 -5.743 -21.854 1.00 0.00 H new ATOM 1030 N ASP A 142 18.444 -1.132 -21.906 1.00 0.00 N ATOM 1031 CA ASP A 142 18.061 -0.621 -20.594 1.00 0.00 C ATOM 1032 C ASP A 142 16.940 0.406 -20.727 1.00 0.00 C ATOM 1033 O ASP A 142 16.994 1.290 -21.582 1.00 0.00 O ATOM 1034 CB ASP A 142 19.267 0.023 -19.911 1.00 0.00 C ATOM 1035 CG ASP A 142 20.385 -1.003 -19.756 1.00 0.00 C ATOM 1036 OD1 ASP A 142 20.082 -2.136 -19.419 1.00 0.00 O ATOM 1037 OD2 ASP A 142 21.528 -0.639 -19.976 1.00 0.00 O ATOM 0 H ASP A 142 18.926 -0.458 -22.500 1.00 0.00 H new ATOM 0 HA ASP A 142 17.706 -1.455 -19.989 1.00 0.00 H new ATOM 0 HB2 ASP A 142 19.619 0.871 -20.499 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.979 0.410 -18.934 1.00 0.00 H new ATOM 1042 N PHE A 143 15.927 0.284 -19.875 1.00 0.00 N ATOM 1043 CA PHE A 143 14.801 1.212 -19.905 1.00 0.00 C ATOM 1044 C PHE A 143 15.284 2.646 -19.706 1.00 0.00 C ATOM 1045 O PHE A 143 15.996 3.194 -20.547 1.00 0.00 O ATOM 1046 CB PHE A 143 13.800 0.853 -18.806 1.00 0.00 C ATOM 1047 CG PHE A 143 13.121 -0.452 -19.149 1.00 0.00 C ATOM 1048 CD1 PHE A 143 12.107 -0.479 -20.114 1.00 0.00 C ATOM 1049 CD2 PHE A 143 13.507 -1.634 -18.505 1.00 0.00 C ATOM 1050 CE1 PHE A 143 11.478 -1.688 -20.434 1.00 0.00 C ATOM 1051 CE2 PHE A 143 12.878 -2.843 -18.826 1.00 0.00 C ATOM 1052 CZ PHE A 143 11.863 -2.870 -19.791 1.00 0.00 C ATOM 0 H PHE A 143 15.862 -0.442 -19.161 1.00 0.00 H new ATOM 0 HA PHE A 143 14.316 1.135 -20.878 1.00 0.00 H new ATOM 0 HB2 PHE A 143 14.312 0.768 -17.847 1.00 0.00 H new ATOM 0 HB3 PHE A 143 13.058 1.645 -18.702 1.00 0.00 H new ATOM 0 HD1 PHE A 143 11.810 0.433 -20.611 1.00 0.00 H new ATOM 0 HD2 PHE A 143 14.290 -1.613 -17.761 1.00 0.00 H new ATOM 0 HE1 PHE A 143 10.695 -1.709 -21.178 1.00 0.00 H new ATOM 0 HE2 PHE A 143 13.175 -3.755 -18.330 1.00 0.00 H new ATOM 0 HZ PHE A 143 11.378 -3.803 -20.039 1.00 0.00 H new