USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 30 MET CE :methyl 168:sc= 0 (180deg=-0.0637) USER MOD Set 1.2: A 102 SER OG : rot 180:sc= -0.114 USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= -2.47 (180deg=-5.46!) USER MOD Single : A 15 THR OG1 : rot 89:sc= -0.753! USER MOD Single : A 19 THR OG1 : rot 74:sc= -1.03 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= -0.638 (180deg=-2.21!) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.35 F(o=-2.3!,f=-1.4) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.763 F(o=-5.9!,f=-0.76) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -156:sc= -0.092 (180deg=-0.785) USER MOD Single : A 36 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 30:sc= 0.0341 USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.65 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -77:sc= -1.38 USER MOD Single : A 94 HIS : no HD1:sc= -0.0715 K(o=-0.072,f=-0.63) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0161 (180deg=-0.407) USER MOD Single : A 99 THR OG1 : rot -26:sc= 0.288 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.036 -20.293 -4.573 1.00 0.00 N ATOM 108 CA PHE A 7 -10.215 -19.136 -4.242 1.00 0.00 C ATOM 109 C PHE A 7 -10.782 -17.872 -4.874 1.00 0.00 C ATOM 110 O PHE A 7 -10.951 -16.855 -4.204 1.00 0.00 O ATOM 111 CB PHE A 7 -8.789 -19.346 -4.731 1.00 0.00 C ATOM 112 CG PHE A 7 -7.970 -18.130 -4.391 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.998 -17.023 -5.241 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.195 -18.105 -3.229 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.242 -15.887 -4.934 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.437 -16.970 -2.919 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.458 -15.860 -3.774 1.00 0.00 C ATOM 0 HA PHE A 7 -10.216 -19.021 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.358 -20.232 -4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.781 -19.516 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.603 -17.044 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.181 -18.961 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.263 -15.031 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.836 -16.950 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.870 -14.985 -3.539 1.00 0.00 H new ATOM 127 N ALA A 8 -11.083 -17.944 -6.164 1.00 0.00 N ATOM 128 CA ALA A 8 -11.640 -16.796 -6.861 1.00 0.00 C ATOM 129 C ALA A 8 -12.951 -16.409 -6.205 1.00 0.00 C ATOM 130 O ALA A 8 -13.258 -15.235 -6.048 1.00 0.00 O ATOM 131 CB ALA A 8 -11.879 -17.130 -8.334 1.00 0.00 C ATOM 0 H ALA A 8 -10.952 -18.775 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.936 -15.966 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.296 -16.260 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.934 -17.405 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.577 -17.963 -8.409 1.00 0.00 H new ATOM 137 N ARG A 9 -13.715 -17.415 -5.809 1.00 0.00 N ATOM 138 CA ARG A 9 -14.988 -17.167 -5.158 1.00 0.00 C ATOM 139 C ARG A 9 -14.782 -16.458 -3.828 1.00 0.00 C ATOM 140 O ARG A 9 -15.559 -15.590 -3.463 1.00 0.00 O ATOM 141 CB ARG A 9 -15.733 -18.474 -4.899 1.00 0.00 C ATOM 142 CG ARG A 9 -16.170 -19.107 -6.230 1.00 0.00 C ATOM 143 CD ARG A 9 -16.926 -20.409 -5.960 1.00 0.00 C ATOM 144 NE ARG A 9 -18.180 -20.129 -5.267 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.937 -21.112 -4.793 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.564 -22.353 -4.944 1.00 0.00 N ATOM 147 NH2 ARG A 9 -20.054 -20.835 -4.178 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.478 -18.400 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.576 -16.538 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.091 -19.165 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.605 -18.286 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.806 -18.414 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.298 -19.305 -6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.128 -20.922 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.311 -21.077 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.480 -19.162 -5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.691 -22.568 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.145 -23.108 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.345 -19.864 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.636 -21.589 -3.814 1.00 0.00 H new ATOM 161 N LEU A 10 -13.748 -16.843 -3.089 1.00 0.00 N ATOM 162 CA LEU A 10 -13.507 -16.220 -1.794 1.00 0.00 C ATOM 163 C LEU A 10 -13.068 -14.777 -1.938 1.00 0.00 C ATOM 164 O LEU A 10 -13.523 -13.898 -1.205 1.00 0.00 O ATOM 165 CB LEU A 10 -12.418 -16.992 -1.054 1.00 0.00 C ATOM 166 CG LEU A 10 -12.941 -18.365 -0.576 1.00 0.00 C ATOM 167 CD1 LEU A 10 -11.764 -19.220 -0.080 1.00 0.00 C ATOM 168 CD2 LEU A 10 -13.967 -18.198 0.570 1.00 0.00 C ATOM 0 H LEU A 10 -13.079 -17.565 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.443 -16.241 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.559 -17.134 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.074 -16.412 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.433 -18.856 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.134 -20.188 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.053 -19.366 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.269 -18.713 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.320 -19.179 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.494 -17.692 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.812 -17.605 0.219 1.00 0.00 H new ATOM 180 N VAL A 11 -12.181 -14.541 -2.881 1.00 0.00 N ATOM 181 CA VAL A 11 -11.685 -13.194 -3.105 1.00 0.00 C ATOM 182 C VAL A 11 -12.815 -12.358 -3.665 1.00 0.00 C ATOM 183 O VAL A 11 -13.047 -11.227 -3.236 1.00 0.00 O ATOM 184 CB VAL A 11 -10.502 -13.207 -4.082 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.042 -11.773 -4.359 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.334 -14.010 -3.489 1.00 0.00 C ATOM 0 H VAL A 11 -11.791 -15.252 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.335 -12.771 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.822 -13.674 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.202 -11.788 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.864 -11.205 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.733 -11.303 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.500 -14.012 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.017 -13.553 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.655 -15.035 -3.303 1.00 0.00 H new ATOM 196 N LYS A 12 -13.530 -12.941 -4.615 1.00 0.00 N ATOM 197 CA LYS A 12 -14.659 -12.267 -5.219 1.00 0.00 C ATOM 198 C LYS A 12 -15.720 -12.008 -4.173 1.00 0.00 C ATOM 199 O LYS A 12 -16.367 -10.973 -4.193 1.00 0.00 O ATOM 200 CB LYS A 12 -15.241 -13.108 -6.354 1.00 0.00 C ATOM 201 CG LYS A 12 -14.295 -13.062 -7.553 1.00 0.00 C ATOM 202 CD LYS A 12 -14.679 -14.122 -8.587 1.00 0.00 C ATOM 203 CE LYS A 12 -15.999 -13.751 -9.276 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.274 -14.726 -10.369 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.346 -13.875 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.319 -11.317 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.380 -14.138 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.223 -12.729 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.327 -12.073 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.270 -13.226 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.888 -14.215 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.776 -15.093 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.815 -13.758 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.940 -12.741 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.753 -14.241 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.378 -15.131 -10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.884 -15.488 -10.009 1.00 0.00 H new ATOM 218 N GLU A 13 -15.913 -12.956 -3.265 1.00 0.00 N ATOM 219 CA GLU A 13 -16.926 -12.778 -2.237 1.00 0.00 C ATOM 220 C GLU A 13 -16.586 -11.613 -1.311 1.00 0.00 C ATOM 221 O GLU A 13 -17.441 -10.781 -1.022 1.00 0.00 O ATOM 222 CB GLU A 13 -17.068 -14.081 -1.461 1.00 0.00 C ATOM 223 CG GLU A 13 -17.871 -15.094 -2.307 1.00 0.00 C ATOM 224 CD GLU A 13 -19.364 -15.024 -1.979 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.761 -14.105 -1.282 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.088 -15.893 -2.436 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.396 -13.834 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.877 -12.531 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.084 -14.486 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.574 -13.900 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.718 -14.889 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.501 -16.102 -2.120 1.00 0.00 H new ATOM 233 N VAL A 14 -15.334 -11.529 -0.875 1.00 0.00 N ATOM 234 CA VAL A 14 -14.924 -10.423 -0.015 1.00 0.00 C ATOM 235 C VAL A 14 -15.038 -9.116 -0.779 1.00 0.00 C ATOM 236 O VAL A 14 -15.552 -8.109 -0.275 1.00 0.00 O ATOM 237 CB VAL A 14 -13.476 -10.620 0.447 1.00 0.00 C ATOM 238 CG1 VAL A 14 -12.964 -9.349 1.136 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.428 -11.767 1.447 1.00 0.00 C ATOM 0 H VAL A 14 -14.597 -12.199 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.575 -10.395 0.859 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.852 -10.840 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.934 -9.500 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.005 -8.514 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.588 -9.128 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.401 -11.915 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.058 -11.529 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.790 -12.679 0.972 1.00 0.00 H new ATOM 249 N THR A 15 -14.531 -9.146 -1.996 1.00 0.00 N ATOM 250 CA THR A 15 -14.540 -7.978 -2.837 1.00 0.00 C ATOM 251 C THR A 15 -15.976 -7.565 -3.139 1.00 0.00 C ATOM 252 O THR A 15 -16.281 -6.385 -3.182 1.00 0.00 O ATOM 253 CB THR A 15 -13.794 -8.272 -4.142 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.491 -8.750 -3.840 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.662 -6.991 -4.967 1.00 0.00 C ATOM 0 H THR A 15 -14.108 -9.972 -2.420 1.00 0.00 H new ATOM 0 HA THR A 15 -14.040 -7.161 -2.317 1.00 0.00 H new ATOM 0 HB THR A 15 -14.351 -9.019 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.515 -9.725 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.130 -7.208 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.654 -6.604 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.107 -6.246 -4.396 1.00 0.00 H new ATOM 263 N ASP A 16 -16.848 -8.550 -3.358 1.00 0.00 N ATOM 264 CA ASP A 16 -18.247 -8.268 -3.666 1.00 0.00 C ATOM 265 C ASP A 16 -18.920 -7.525 -2.515 1.00 0.00 C ATOM 266 O ASP A 16 -19.719 -6.616 -2.739 1.00 0.00 O ATOM 267 CB ASP A 16 -19.002 -9.566 -3.953 1.00 0.00 C ATOM 268 CG ASP A 16 -18.570 -10.139 -5.299 1.00 0.00 C ATOM 269 OD1 ASP A 16 -17.921 -9.425 -6.046 1.00 0.00 O ATOM 270 OD2 ASP A 16 -18.893 -11.286 -5.564 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.611 -9.542 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.274 -7.634 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.809 -10.291 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.076 -9.378 -3.957 1.00 0.00 H new ATOM 275 N GLU A 17 -18.586 -7.901 -1.286 1.00 0.00 N ATOM 276 CA GLU A 17 -19.156 -7.252 -0.123 1.00 0.00 C ATOM 277 C GLU A 17 -18.783 -5.789 -0.157 1.00 0.00 C ATOM 278 O GLU A 17 -19.599 -4.916 0.135 1.00 0.00 O ATOM 279 CB GLU A 17 -18.601 -7.907 1.139 1.00 0.00 C ATOM 280 CG GLU A 17 -19.150 -9.330 1.246 1.00 0.00 C ATOM 281 CD GLU A 17 -20.603 -9.303 1.709 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.074 -8.233 2.062 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.225 -10.351 1.704 1.00 0.00 O1- ATOM 0 H GLU A 17 -17.926 -8.649 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.241 -7.351 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.512 -7.926 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.883 -7.328 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.078 -9.828 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.548 -9.908 1.948 1.00 0.00 H new ATOM 290 N PHE A 18 -17.548 -5.523 -0.553 1.00 0.00 N ATOM 291 CA PHE A 18 -17.096 -4.152 -0.663 1.00 0.00 C ATOM 292 C PHE A 18 -17.761 -3.517 -1.881 1.00 0.00 C ATOM 293 O PHE A 18 -18.223 -2.377 -1.840 1.00 0.00 O ATOM 294 CB PHE A 18 -15.583 -4.103 -0.847 1.00 0.00 C ATOM 295 CG PHE A 18 -14.840 -4.937 0.162 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.427 -5.390 1.360 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.516 -5.258 -0.129 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.672 -6.153 2.245 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.773 -6.014 0.759 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.347 -6.459 1.943 1.00 0.00 C ATOM 0 H PHE A 18 -16.853 -6.228 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.360 -3.613 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.333 -4.449 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.247 -3.069 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.454 -5.147 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.069 -4.916 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.113 -6.508 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.746 -6.259 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.762 -7.047 2.635 1.00 0.00 H new ATOM 310 N THR A 19 -17.806 -4.291 -2.964 1.00 0.00 N ATOM 311 CA THR A 19 -18.414 -3.853 -4.212 1.00 0.00 C ATOM 312 C THR A 19 -19.913 -4.028 -4.138 1.00 0.00 C ATOM 313 O THR A 19 -20.609 -3.930 -5.149 1.00 0.00 O ATOM 314 CB THR A 19 -17.851 -4.634 -5.412 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.478 -4.914 -5.194 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.004 -3.801 -6.691 1.00 0.00 C ATOM 0 H THR A 19 -17.423 -5.236 -2.998 1.00 0.00 H new ATOM 0 HA THR A 19 -18.176 -2.799 -4.356 1.00 0.00 H new ATOM 0 HB THR A 19 -18.401 -5.568 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.391 -5.623 -4.523 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.604 -4.358 -7.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.059 -3.588 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.458 -2.864 -6.582 1.00 0.00 H new ATOM 324 N THR A 20 -20.415 -4.280 -2.932 1.00 0.00 N ATOM 325 CA THR A 20 -21.851 -4.445 -2.734 1.00 0.00 C ATOM 326 C THR A 20 -22.592 -3.345 -3.491 1.00 0.00 C ATOM 327 O THR A 20 -23.793 -3.438 -3.746 1.00 0.00 O ATOM 328 CB THR A 20 -22.197 -4.394 -1.246 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.608 -4.464 -1.087 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.676 -3.089 -0.640 1.00 0.00 C ATOM 0 H THR A 20 -19.855 -4.374 -2.085 1.00 0.00 H new ATOM 0 HA THR A 20 -22.157 -5.418 -3.118 1.00 0.00 H new ATOM 0 HB THR A 20 -21.731 -5.237 -0.736 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.832 -4.433 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.924 -3.056 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.594 -3.038 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.138 -2.242 -1.147 1.00 0.00 H new ATOM 338 N LYS A 21 -21.831 -2.329 -3.895 1.00 0.00 N ATOM 339 CA LYS A 21 -22.351 -1.229 -4.678 1.00 0.00 C ATOM 340 C LYS A 21 -22.762 -1.728 -6.058 1.00 0.00 C ATOM 341 O LYS A 21 -22.806 -0.953 -7.014 1.00 0.00 O ATOM 342 CB LYS A 21 -21.275 -0.158 -4.837 1.00 0.00 C ATOM 343 CG LYS A 21 -21.053 0.537 -3.497 1.00 0.00 C ATOM 344 CD LYS A 21 -19.976 1.609 -3.655 1.00 0.00 C ATOM 345 CE LYS A 21 -19.768 2.322 -2.320 1.00 0.00 C ATOM 346 NZ LYS A 21 -18.711 3.362 -2.469 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.836 -2.253 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.217 -0.808 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.345 -0.609 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.578 0.569 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.983 0.988 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.751 -0.190 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.042 1.155 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.271 2.326 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.701 2.781 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.480 1.603 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.943 4.181 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.794 2.969 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.658 3.663 -3.463 1.00 0.00 H new ATOM 360 N ASP A 22 -23.060 -3.028 -6.161 1.00 0.00 N ATOM 361 CA ASP A 22 -23.472 -3.610 -7.429 1.00 0.00 C ATOM 362 C ASP A 22 -24.869 -3.115 -7.763 1.00 0.00 C ATOM 363 O ASP A 22 -25.737 -3.873 -8.193 1.00 0.00 O ATOM 364 CB ASP A 22 -23.476 -5.136 -7.335 1.00 0.00 C ATOM 365 CG ASP A 22 -23.670 -5.745 -8.721 1.00 0.00 C ATOM 366 OD1 ASP A 22 -24.019 -5.006 -9.627 1.00 0.00 O ATOM 367 OD2 ASP A 22 -23.466 -6.939 -8.855 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.022 -3.687 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.772 -3.312 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.537 -5.484 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.274 -5.465 -6.669 1.00 0.00 H new ATOM 372 N GLN A 23 -25.058 -1.825 -7.546 1.00 0.00 N ATOM 373 CA GLN A 23 -26.327 -1.173 -7.797 1.00 0.00 C ATOM 374 C GLN A 23 -26.763 -1.373 -9.238 1.00 0.00 C ATOM 375 O GLN A 23 -27.948 -1.293 -9.553 1.00 0.00 O ATOM 376 CB GLN A 23 -26.183 0.324 -7.479 1.00 0.00 C ATOM 377 CG GLN A 23 -25.025 0.949 -8.316 1.00 0.00 C ATOM 378 CD GLN A 23 -24.093 1.789 -7.433 1.00 0.00 C ATOM 379 OE1 GLN A 23 -22.813 1.500 -7.387 1.00 0.00 O flip ATOM 380 NE2 GLN A 23 -24.539 2.728 -6.775 1.00 0.00 N flip ATOM 0 H GLN A 23 -24.334 -1.201 -7.190 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.093 -1.613 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.118 0.840 -7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -25.985 0.459 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.455 0.157 -8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.440 1.573 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -25.534 2.950 -6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.914 3.284 -6.192 1.00 0.00 H new ATOM 389 N ASP A 24 -25.796 -1.645 -10.103 1.00 0.00 N ATOM 390 CA ASP A 24 -26.077 -1.868 -11.509 1.00 0.00 C ATOM 391 C ASP A 24 -24.810 -2.329 -12.216 1.00 0.00 C ATOM 392 O ASP A 24 -24.820 -2.601 -13.416 1.00 0.00 O ATOM 393 CB ASP A 24 -26.594 -0.564 -12.146 1.00 0.00 C ATOM 394 CG ASP A 24 -28.116 -0.436 -12.021 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.764 -1.432 -11.740 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.610 0.663 -12.208 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.810 -1.716 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.841 -2.639 -11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.116 0.290 -11.665 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.312 -0.536 -13.198 1.00 0.00 H new ATOM 401 N LEU A 25 -23.724 -2.413 -11.459 1.00 0.00 N ATOM 402 CA LEU A 25 -22.442 -2.831 -12.026 1.00 0.00 C ATOM 403 C LEU A 25 -22.506 -4.257 -12.538 1.00 0.00 C ATOM 404 O LEU A 25 -23.451 -5.001 -12.275 1.00 0.00 O ATOM 405 CB LEU A 25 -21.309 -2.704 -10.999 1.00 0.00 C ATOM 406 CG LEU A 25 -20.686 -1.305 -11.028 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.740 -0.267 -10.649 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.533 -1.244 -10.021 1.00 0.00 C ATOM 0 H LEU A 25 -23.701 -2.201 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.232 -2.165 -12.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.695 -2.912 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.542 -3.450 -11.206 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.313 -1.095 -12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.295 0.728 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.565 -0.310 -11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.113 -0.476 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.087 -0.250 -10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.912 -1.454 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.779 -1.985 -10.286 1.00 0.00 H new ATOM 420 N ARG A 26 -21.473 -4.607 -13.286 1.00 0.00 N ATOM 421 CA ARG A 26 -21.357 -5.931 -13.881 1.00 0.00 C ATOM 422 C ARG A 26 -19.915 -6.420 -13.829 1.00 0.00 C ATOM 423 O ARG A 26 -18.979 -5.668 -14.085 1.00 0.00 O ATOM 424 CB ARG A 26 -21.817 -5.872 -15.326 1.00 0.00 C ATOM 425 CG ARG A 26 -21.867 -7.287 -15.889 1.00 0.00 C ATOM 426 CD ARG A 26 -22.386 -7.241 -17.321 1.00 0.00 C ATOM 427 NE ARG A 26 -23.773 -6.787 -17.341 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.409 -6.572 -18.488 1.00 0.00 C ATOM 429 NH1 ARG A 26 -23.793 -6.763 -19.623 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.651 -6.169 -18.480 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.693 -3.985 -13.498 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.981 -6.625 -13.317 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.801 -5.407 -15.389 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.135 -5.257 -15.913 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.874 -7.736 -15.864 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.515 -7.912 -15.275 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.768 -6.571 -17.918 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.313 -8.230 -17.774 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.263 -6.632 -16.460 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.823 -7.078 -19.630 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.282 -6.598 -20.503 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.133 -6.019 -17.594 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.139 -6.004 -19.360 1.00 0.00 H new ATOM 444 N TRP A 27 -19.736 -7.687 -13.486 1.00 0.00 N ATOM 445 CA TRP A 27 -18.391 -8.265 -13.399 1.00 0.00 C ATOM 446 C TRP A 27 -18.034 -9.069 -14.646 1.00 0.00 C ATOM 447 O TRP A 27 -18.599 -10.134 -14.899 1.00 0.00 O ATOM 448 CB TRP A 27 -18.293 -9.192 -12.178 1.00 0.00 C ATOM 449 CG TRP A 27 -18.077 -8.409 -10.928 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.879 -7.433 -10.455 1.00 0.00 C ATOM 451 CD2 TRP A 27 -16.997 -8.551 -9.978 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.365 -6.980 -9.251 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.200 -7.642 -8.917 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.871 -9.382 -9.939 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.313 -7.566 -7.845 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -14.975 -9.308 -8.869 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.196 -8.406 -7.822 1.00 0.00 C ATOM 0 H TRP A 27 -20.493 -8.334 -13.264 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.692 -7.434 -13.307 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.206 -9.780 -12.089 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.473 -9.896 -12.317 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.774 -7.066 -10.935 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.793 -6.249 -8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.694 -10.084 -10.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.487 -6.866 -7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.107 -9.951 -8.850 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.503 -8.359 -6.995 1.00 0.00 H new ATOM 468 N GLN A 28 -17.058 -8.570 -15.388 1.00 0.00 N ATOM 469 CA GLN A 28 -16.578 -9.257 -16.576 1.00 0.00 C ATOM 470 C GLN A 28 -15.527 -10.276 -16.159 1.00 0.00 C ATOM 471 O GLN A 28 -14.950 -10.162 -15.079 1.00 0.00 O ATOM 472 CB GLN A 28 -15.936 -8.245 -17.522 1.00 0.00 C ATOM 473 CG GLN A 28 -16.871 -7.056 -17.671 1.00 0.00 C ATOM 474 CD GLN A 28 -18.228 -7.521 -18.162 1.00 0.00 C ATOM 475 OE1 GLN A 28 -19.287 -7.169 -17.505 1.00 0.00 O flip ATOM 476 NE2 GLN A 28 -18.324 -8.221 -19.170 1.00 0.00 N flip ATOM 0 H GLN A 28 -16.582 -7.690 -15.188 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.409 -9.753 -17.078 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.972 -7.921 -17.131 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.748 -8.702 -18.494 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.977 -6.544 -16.714 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.448 -6.336 -18.372 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.486 -8.495 -19.683 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.242 -8.527 -19.493 1.00 0.00 H new ATOM 485 N SER A 29 -15.255 -11.251 -17.008 1.00 0.00 N ATOM 486 CA SER A 29 -14.239 -12.236 -16.676 1.00 0.00 C ATOM 487 C SER A 29 -12.911 -11.513 -16.498 1.00 0.00 C ATOM 488 O SER A 29 -11.994 -12.004 -15.835 1.00 0.00 O ATOM 489 CB SER A 29 -14.124 -13.279 -17.787 1.00 0.00 C ATOM 490 OG SER A 29 -15.327 -14.034 -17.849 1.00 0.00 O ATOM 0 H SER A 29 -15.710 -11.382 -17.911 1.00 0.00 H new ATOM 0 HA SER A 29 -14.512 -12.752 -15.755 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.939 -12.790 -18.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.277 -13.938 -17.597 1.00 0.00 H new ATOM 0 HG SER A 29 -15.257 -14.703 -18.562 1.00 0.00 H new ATOM 496 N MET A 30 -12.833 -10.321 -17.090 1.00 0.00 N ATOM 497 CA MET A 30 -11.629 -9.510 -16.991 1.00 0.00 C ATOM 498 C MET A 30 -11.494 -9.020 -15.550 1.00 0.00 C ATOM 499 O MET A 30 -10.412 -8.799 -15.025 1.00 0.00 O ATOM 500 CB MET A 30 -11.707 -8.313 -17.944 1.00 0.00 C ATOM 501 CG MET A 30 -11.904 -8.822 -19.373 1.00 0.00 C ATOM 502 SD MET A 30 -11.697 -7.462 -20.553 1.00 0.00 S ATOM 503 CE MET A 30 -9.885 -7.473 -20.639 1.00 0.00 C ATOM 0 H MET A 30 -13.585 -9.902 -17.638 1.00 0.00 H new ATOM 0 HA MET A 30 -10.761 -10.108 -17.269 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.532 -7.660 -17.660 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.795 -7.720 -17.879 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.185 -9.613 -19.588 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.898 -9.257 -19.479 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.557 -6.852 -21.472 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.474 -7.080 -19.709 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.534 -8.494 -20.787 1.00 0.00 H new ATOM 513 N ALA A 31 -12.613 -8.862 -14.899 1.00 0.00 N ATOM 514 CA ALA A 31 -12.594 -8.424 -13.524 1.00 0.00 C ATOM 515 C ALA A 31 -11.855 -9.441 -12.662 1.00 0.00 C ATOM 516 O ALA A 31 -11.030 -9.077 -11.838 1.00 0.00 O ATOM 517 CB ALA A 31 -14.022 -8.265 -13.021 1.00 0.00 C ATOM 0 H ALA A 31 -13.541 -9.027 -15.289 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.078 -7.466 -13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.007 -7.934 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.542 -7.526 -13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.541 -9.221 -13.090 1.00 0.00 H new ATOM 523 N ILE A 32 -12.171 -10.714 -12.867 1.00 0.00 N ATOM 524 CA ILE A 32 -11.571 -11.800 -12.100 1.00 0.00 C ATOM 525 C ILE A 32 -10.070 -11.907 -12.329 1.00 0.00 C ATOM 526 O ILE A 32 -9.301 -11.957 -11.376 1.00 0.00 O ATOM 527 CB ILE A 32 -12.239 -13.103 -12.515 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.740 -12.976 -12.234 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.647 -14.267 -11.708 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.494 -14.214 -12.733 1.00 0.00 C ATOM 0 H ILE A 32 -12.847 -11.022 -13.566 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.723 -11.597 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.072 -13.298 -13.574 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.905 -12.851 -11.164 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.132 -12.084 -12.723 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.127 -15.199 -12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.576 -14.334 -11.898 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.817 -14.096 -10.645 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.558 -14.101 -12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.346 -14.322 -13.808 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.115 -15.100 -12.224 1.00 0.00 H new ATOM 542 N MET A 33 -9.638 -11.929 -13.582 1.00 0.00 N ATOM 543 CA MET A 33 -8.208 -12.019 -13.848 1.00 0.00 C ATOM 544 C MET A 33 -7.522 -10.895 -13.112 1.00 0.00 C ATOM 545 O MET A 33 -6.380 -11.008 -12.688 1.00 0.00 O ATOM 546 CB MET A 33 -7.908 -11.916 -15.343 1.00 0.00 C ATOM 547 CG MET A 33 -8.374 -10.585 -15.869 1.00 0.00 C ATOM 548 SD MET A 33 -8.151 -10.522 -17.665 1.00 0.00 S ATOM 549 CE MET A 33 -6.342 -10.454 -17.680 1.00 0.00 C ATOM 0 H MET A 33 -10.235 -11.887 -14.408 1.00 0.00 H new ATOM 0 HA MET A 33 -7.842 -12.988 -13.507 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.838 -12.031 -15.517 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.407 -12.723 -15.879 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.424 -10.432 -15.618 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.812 -9.780 -15.395 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.003 -9.995 -18.608 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.993 -9.862 -16.834 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.939 -11.464 -17.607 1.00 0.00 H new ATOM 559 N ALA A 34 -8.256 -9.813 -12.943 1.00 0.00 N ATOM 560 CA ALA A 34 -7.741 -8.670 -12.221 1.00 0.00 C ATOM 561 C ALA A 34 -7.432 -9.081 -10.788 1.00 0.00 C ATOM 562 O ALA A 34 -6.399 -8.707 -10.242 1.00 0.00 O ATOM 563 CB ALA A 34 -8.768 -7.529 -12.257 1.00 0.00 C ATOM 0 H ALA A 34 -9.207 -9.703 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.823 -8.316 -12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.377 -6.670 -11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.961 -7.245 -13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.697 -7.861 -11.793 1.00 0.00 H new ATOM 569 N LEU A 35 -8.316 -9.879 -10.191 1.00 0.00 N ATOM 570 CA LEU A 35 -8.076 -10.350 -8.835 1.00 0.00 C ATOM 571 C LEU A 35 -6.859 -11.259 -8.823 1.00 0.00 C ATOM 572 O LEU A 35 -6.054 -11.241 -7.892 1.00 0.00 O ATOM 573 CB LEU A 35 -9.299 -11.127 -8.325 1.00 0.00 C ATOM 574 CG LEU A 35 -10.357 -10.163 -7.774 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.619 -9.037 -8.769 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.657 -10.923 -7.514 1.00 0.00 C ATOM 0 H LEU A 35 -9.184 -10.205 -10.616 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.900 -9.493 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.725 -11.719 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.994 -11.826 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.989 -9.734 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.372 -8.361 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.695 -8.486 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.977 -9.458 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.408 -10.237 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.016 -11.360 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.476 -11.715 -6.788 1.00 0.00 H new ATOM 588 N GLN A 36 -6.753 -12.066 -9.864 1.00 0.00 N ATOM 589 CA GLN A 36 -5.665 -13.006 -9.990 1.00 0.00 C ATOM 590 C GLN A 36 -4.354 -12.252 -10.134 1.00 0.00 C ATOM 591 O GLN A 36 -3.348 -12.591 -9.510 1.00 0.00 O ATOM 592 CB GLN A 36 -5.924 -13.851 -11.231 1.00 0.00 C ATOM 593 CG GLN A 36 -7.273 -14.552 -11.071 1.00 0.00 C ATOM 594 CD GLN A 36 -7.201 -15.555 -9.937 1.00 0.00 C ATOM 595 OE1 GLN A 36 -7.847 -15.389 -8.902 1.00 0.00 O ATOM 596 NE2 GLN A 36 -6.450 -16.595 -10.086 1.00 0.00 N ATOM 0 H GLN A 36 -7.416 -12.085 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.600 -13.643 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.927 -13.223 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.129 -14.585 -11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.053 -13.818 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.543 -15.057 -11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.920 -16.722 -10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.387 -17.290 -9.342 1.00 0.00 H new ATOM 605 N GLU A 37 -4.398 -11.205 -10.943 1.00 0.00 N ATOM 606 CA GLU A 37 -3.241 -10.365 -11.161 1.00 0.00 C ATOM 607 C GLU A 37 -2.912 -9.615 -9.885 1.00 0.00 C ATOM 608 O GLU A 37 -1.756 -9.409 -9.556 1.00 0.00 O ATOM 609 CB GLU A 37 -3.539 -9.361 -12.271 1.00 0.00 C ATOM 610 CG GLU A 37 -3.565 -10.081 -13.621 1.00 0.00 C ATOM 611 CD GLU A 37 -2.155 -10.512 -14.009 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.467 -9.726 -14.638 1.00 0.00 O1- ATOM 613 OE2 GLU A 37 -1.783 -11.624 -13.671 1.00 0.00 O ATOM 0 H GLU A 37 -5.230 -10.919 -11.460 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.394 -10.987 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.497 -8.875 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.781 -8.578 -12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.218 -10.952 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.976 -9.422 -14.386 1.00 0.00 H new ATOM 620 N ALA A 38 -3.951 -9.186 -9.188 1.00 0.00 N ATOM 621 CA ALA A 38 -3.764 -8.434 -7.957 1.00 0.00 C ATOM 622 C ALA A 38 -3.060 -9.258 -6.892 1.00 0.00 C ATOM 623 O ALA A 38 -2.156 -8.765 -6.218 1.00 0.00 O ATOM 624 CB ALA A 38 -5.116 -7.975 -7.424 1.00 0.00 C ATOM 0 H ALA A 38 -4.924 -9.343 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.137 -7.573 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.971 -7.412 -6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.602 -7.340 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.742 -8.844 -7.224 1.00 0.00 H new ATOM 630 N SER A 39 -3.483 -10.502 -6.724 1.00 0.00 N ATOM 631 CA SER A 39 -2.872 -11.343 -5.711 1.00 0.00 C ATOM 632 C SER A 39 -1.427 -11.676 -6.052 1.00 0.00 C ATOM 633 O SER A 39 -0.542 -11.580 -5.204 1.00 0.00 O ATOM 634 CB SER A 39 -3.674 -12.634 -5.547 1.00 0.00 C ATOM 635 OG SER A 39 -3.058 -13.448 -4.557 1.00 0.00 O ATOM 0 H SER A 39 -4.229 -10.942 -7.263 1.00 0.00 H new ATOM 0 HA SER A 39 -2.877 -10.786 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.700 -12.404 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.722 -13.169 -6.496 1.00 0.00 H new ATOM 0 HG SER A 39 -3.571 -14.276 -4.449 1.00 0.00 H new ATOM 641 N GLU A 40 -1.194 -12.078 -7.292 1.00 0.00 N ATOM 642 CA GLU A 40 0.150 -12.440 -7.714 1.00 0.00 C ATOM 643 C GLU A 40 1.037 -11.201 -7.834 1.00 0.00 C ATOM 644 O GLU A 40 2.248 -11.270 -7.633 1.00 0.00 O ATOM 645 CB GLU A 40 0.078 -13.188 -9.060 1.00 0.00 C ATOM 646 CG GLU A 40 0.028 -12.200 -10.241 1.00 0.00 C ATOM 647 CD GLU A 40 1.437 -11.752 -10.632 1.00 0.00 C ATOM 648 OE1 GLU A 40 2.369 -12.503 -10.400 1.00 0.00 O ATOM 649 OE2 GLU A 40 1.560 -10.659 -11.161 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.908 -12.161 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 40 0.594 -13.093 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.945 -13.840 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.805 -13.826 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.459 -12.671 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.573 -11.332 -9.970 1.00 0.00 H new ATOM 656 N ALA A 41 0.424 -10.077 -8.183 1.00 0.00 N ATOM 657 CA ALA A 41 1.164 -8.836 -8.351 1.00 0.00 C ATOM 658 C ALA A 41 1.619 -8.277 -7.022 1.00 0.00 C ATOM 659 O ALA A 41 2.749 -7.806 -6.889 1.00 0.00 O ATOM 660 CB ALA A 41 0.310 -7.788 -9.071 1.00 0.00 C ATOM 0 H ALA A 41 -0.579 -10.000 -8.354 1.00 0.00 H new ATOM 0 HA ALA A 41 2.043 -9.067 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.883 -6.868 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.025 -8.163 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.587 -7.586 -8.486 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.797 -8.051 4.966 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.284 -6.715 5.279 1.00 0.00 C ATOM 1216 C ALA A 75 -5.671 -5.686 4.344 1.00 0.00 C ATOM 1217 O ALA A 75 -6.266 -4.651 4.047 1.00 0.00 O ATOM 1218 CB ALA A 75 -5.976 -6.344 6.728 1.00 0.00 C ATOM 0 HA ALA A 75 -7.365 -6.718 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.351 -5.341 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.459 -7.057 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.898 -6.369 6.889 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.478 -5.986 3.877 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.782 -5.117 2.967 1.00 0.00 C ATOM 1226 C VAL A 76 -4.436 -5.208 1.603 1.00 0.00 C ATOM 1227 O VAL A 76 -4.617 -4.204 0.917 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.311 -5.516 2.936 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.597 -4.809 1.795 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.658 -5.115 4.277 1.00 0.00 C ATOM 0 H VAL A 76 -3.969 -6.836 4.119 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.837 -4.077 3.290 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.232 -6.593 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.547 -5.103 1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.061 -5.086 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.670 -3.730 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.605 -5.395 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.745 -4.037 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.163 -5.629 5.095 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.828 -6.424 1.237 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.510 -6.622 -0.031 1.00 0.00 C ATOM 1242 C LEU A 77 -6.874 -5.983 0.035 1.00 0.00 C ATOM 1243 O LEU A 77 -7.351 -5.407 -0.932 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.648 -8.096 -0.372 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.289 -8.667 -0.801 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.429 -10.178 -0.970 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.831 -8.043 -2.142 1.00 0.00 C ATOM 0 H LEU A 77 -4.688 -7.270 1.789 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.913 -6.157 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.025 -8.643 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.375 -8.225 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.545 -8.433 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.472 -10.600 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.737 -10.623 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.179 -10.391 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.866 -8.462 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.566 -8.264 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.738 -6.963 -2.028 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.484 -6.076 1.201 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.773 -5.495 1.422 1.00 0.00 C ATOM 1261 C LYS A 78 -8.711 -4.012 1.112 1.00 0.00 C ATOM 1262 O LYS A 78 -9.579 -3.468 0.439 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.148 -5.740 2.878 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.362 -4.930 3.249 1.00 0.00 C ATOM 1265 CD LYS A 78 -10.895 -5.392 4.602 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.034 -4.474 5.013 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.592 -4.918 6.322 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.093 -6.556 2.012 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.528 -5.941 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.348 -6.800 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.313 -5.473 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.106 -3.871 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.133 -5.042 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.244 -6.423 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.102 -5.369 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.676 -3.447 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.814 -4.484 4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.371 -4.287 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.949 -5.891 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.846 -4.886 7.046 1.00 0.00 H new ATOM 1281 N SER A 79 -7.652 -3.374 1.577 1.00 0.00 N ATOM 1282 CA SER A 79 -7.460 -1.964 1.308 1.00 0.00 C ATOM 1283 C SER A 79 -7.362 -1.733 -0.193 1.00 0.00 C ATOM 1284 O SER A 79 -7.998 -0.831 -0.738 1.00 0.00 O ATOM 1285 CB SER A 79 -6.199 -1.481 2.011 1.00 0.00 C ATOM 1286 OG SER A 79 -5.872 -0.173 1.559 1.00 0.00 O ATOM 0 H SER A 79 -6.918 -3.807 2.138 1.00 0.00 H new ATOM 0 HA SER A 79 -8.311 -1.399 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.351 -1.476 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.374 -2.164 1.809 1.00 0.00 H new ATOM 0 HG SER A 79 -5.061 0.137 2.014 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.581 -2.576 -0.856 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.425 -2.481 -2.297 1.00 0.00 C ATOM 1294 C PHE A 80 -7.768 -2.685 -2.990 1.00 0.00 C ATOM 1295 O PHE A 80 -8.174 -1.877 -3.814 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.422 -3.548 -2.762 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.554 -3.770 -4.250 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.134 -2.786 -5.140 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.131 -4.956 -4.730 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.283 -2.979 -6.513 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.279 -5.152 -6.104 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.857 -4.163 -6.999 1.00 0.00 C ATOM 0 H PHE A 80 -6.049 -3.329 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.053 -1.490 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.406 -3.233 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.600 -4.482 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.693 -1.873 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.460 -5.716 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.956 -2.216 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.719 -6.066 -6.476 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.973 -4.311 -8.063 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.449 -3.770 -2.654 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.731 -4.059 -3.272 1.00 0.00 C ATOM 1314 C LEU A 81 -10.717 -2.925 -3.006 1.00 0.00 C ATOM 1315 O LEU A 81 -11.386 -2.461 -3.913 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.318 -5.344 -2.681 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.507 -6.575 -3.117 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.008 -7.798 -2.335 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.658 -6.824 -4.635 1.00 0.00 C ATOM 0 H LEU A 81 -8.139 -4.456 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.571 -4.171 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.326 -5.277 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.354 -5.455 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.452 -6.401 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.441 -8.679 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.874 -7.627 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.065 -7.958 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.075 -7.700 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.708 -6.994 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.297 -5.954 -5.184 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.795 -2.479 -1.758 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.713 -1.403 -1.398 1.00 0.00 C ATOM 1333 C GLU A 82 -11.423 -0.143 -2.198 1.00 0.00 C ATOM 1334 O GLU A 82 -12.325 0.463 -2.778 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.543 -1.103 0.089 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.123 -2.256 0.918 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.637 -2.112 1.042 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.175 -1.183 0.463 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.235 -2.929 1.721 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.239 -2.841 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.733 -1.718 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.487 -0.968 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.048 -0.171 0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.879 -3.209 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.670 -2.264 1.909 1.00 0.00 H new ATOM 1346 N SER A 83 -10.160 0.230 -2.241 1.00 0.00 N ATOM 1347 CA SER A 83 -9.747 1.408 -2.991 1.00 0.00 C ATOM 1348 C SER A 83 -9.999 1.214 -4.473 1.00 0.00 C ATOM 1349 O SER A 83 -10.367 2.149 -5.182 1.00 0.00 O ATOM 1350 CB SER A 83 -8.265 1.687 -2.772 1.00 0.00 C ATOM 1351 OG SER A 83 -7.891 2.845 -3.506 1.00 0.00 O ATOM 0 H SER A 83 -9.401 -0.261 -1.769 1.00 0.00 H new ATOM 0 HA SER A 83 -10.334 2.254 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.064 1.834 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.671 0.831 -3.093 1.00 0.00 H new ATOM 0 HG SER A 83 -6.938 3.028 -3.366 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.767 -0.002 -4.942 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.938 -0.305 -6.345 1.00 0.00 C ATOM 1359 C VAL A 84 -11.369 -0.045 -6.770 1.00 0.00 C ATOM 1360 O VAL A 84 -11.616 0.503 -7.834 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.563 -1.768 -6.618 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -9.989 -2.161 -8.041 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.033 -1.955 -6.457 1.00 0.00 C ATOM 0 H VAL A 84 -9.461 -0.789 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.280 0.342 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.080 -2.408 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.720 -3.201 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.068 -2.042 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.483 -1.520 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.771 -2.995 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.511 -1.311 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.739 -1.691 -5.441 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.301 -0.448 -5.929 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.706 -0.257 -6.208 1.00 0.00 C ATOM 1375 C ILE A 85 -14.011 1.217 -6.254 1.00 0.00 C ATOM 1376 O ILE A 85 -14.734 1.690 -7.125 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.521 -0.905 -5.110 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.247 -2.405 -5.159 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.022 -0.631 -5.320 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.865 -3.101 -3.951 1.00 0.00 C ATOM 0 H ILE A 85 -12.106 -0.912 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 85 -13.956 -0.709 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.243 -0.495 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.657 -2.826 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.172 -2.584 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.593 -1.104 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.201 0.444 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.335 -1.039 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.660 -4.170 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.435 -2.693 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -15.943 -2.938 -3.949 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.449 1.946 -5.302 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.670 3.370 -5.252 1.00 0.00 C ATOM 1394 C ARG A 86 -13.131 4.013 -6.512 1.00 0.00 C ATOM 1395 O ARG A 86 -13.750 4.910 -7.078 1.00 0.00 O ATOM 1396 CB ARG A 86 -12.991 3.945 -4.006 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.808 3.586 -2.747 1.00 0.00 C ATOM 1398 CD ARG A 86 -14.910 4.629 -2.506 1.00 0.00 C ATOM 1399 NE ARG A 86 -15.704 4.260 -1.340 1.00 0.00 N ATOM 1400 CZ ARG A 86 -16.706 5.025 -0.922 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -16.996 6.127 -1.559 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -17.403 4.674 0.126 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.846 1.576 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.738 3.580 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.979 3.550 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.903 5.028 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.253 2.598 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.149 3.537 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.464 5.612 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.551 4.701 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.486 3.400 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.453 6.401 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.766 6.714 -1.238 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.178 3.812 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.172 5.262 0.447 1.00 0.00 H new ATOM 1416 N ASP A 87 -11.985 3.534 -6.960 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.377 4.055 -8.168 1.00 0.00 C ATOM 1418 C ASP A 87 -12.110 3.567 -9.411 1.00 0.00 C ATOM 1419 O ASP A 87 -12.178 4.251 -10.429 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.918 3.607 -8.228 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.096 4.356 -7.186 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.598 5.329 -6.650 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -7.974 3.944 -6.938 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.459 2.787 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.438 5.143 -8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.852 2.533 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.513 3.792 -9.223 1.00 0.00 H new ATOM 1428 N SER A 88 -12.616 2.360 -9.308 1.00 0.00 N ATOM 1429 CA SER A 88 -13.312 1.708 -10.413 1.00 0.00 C ATOM 1430 C SER A 88 -14.671 2.316 -10.644 1.00 0.00 C ATOM 1431 O SER A 88 -15.044 2.622 -11.768 1.00 0.00 O ATOM 1432 CB SER A 88 -13.470 0.215 -10.146 1.00 0.00 C ATOM 1433 OG SER A 88 -14.093 -0.397 -11.268 1.00 0.00 O ATOM 0 H SER A 88 -12.561 1.796 -8.460 1.00 0.00 H new ATOM 0 HA SER A 88 -12.705 1.856 -11.306 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.496 -0.239 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.070 0.055 -9.250 1.00 0.00 H new ATOM 0 HG SER A 88 -13.857 0.095 -12.082 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.400 2.502 -9.566 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.708 3.092 -9.652 1.00 0.00 C ATOM 1441 C VAL A 89 -16.517 4.497 -10.160 1.00 0.00 C ATOM 1442 O VAL A 89 -17.295 5.004 -10.949 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.385 3.089 -8.276 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.701 3.851 -8.359 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.659 1.645 -7.840 1.00 0.00 C ATOM 0 H VAL A 89 -15.105 2.252 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.354 2.527 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.730 3.568 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.184 3.850 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.508 4.878 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.354 3.370 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.140 1.645 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.314 1.164 -8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.718 1.098 -7.781 1.00 0.00 H new ATOM 1455 N THR A 90 -15.442 5.105 -9.695 1.00 0.00 N ATOM 1456 CA THR A 90 -15.099 6.450 -10.087 1.00 0.00 C ATOM 1457 C THR A 90 -14.840 6.558 -11.588 1.00 0.00 C ATOM 1458 O THR A 90 -15.392 7.432 -12.253 1.00 0.00 O ATOM 1459 CB THR A 90 -13.866 6.889 -9.297 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.211 7.023 -7.926 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.333 8.222 -9.831 1.00 0.00 C ATOM 0 H THR A 90 -14.788 4.679 -9.038 1.00 0.00 H new ATOM 0 HA THR A 90 -15.941 7.105 -9.865 1.00 0.00 H new ATOM 0 HB THR A 90 -13.086 6.136 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.286 6.135 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.455 8.519 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.060 8.110 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.104 8.986 -9.736 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.013 5.664 -12.119 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.709 5.676 -13.545 1.00 0.00 C ATOM 1471 C TYR A 91 -14.909 5.200 -14.338 1.00 0.00 C ATOM 1472 O TYR A 91 -15.188 5.709 -15.423 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.501 4.781 -13.860 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.199 5.498 -13.534 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.869 6.688 -14.201 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.322 4.976 -12.568 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.672 7.350 -13.903 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.128 5.642 -12.275 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.803 6.829 -12.941 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.624 7.483 -12.649 1.00 0.00 O ATOM 0 H TYR A 91 -13.545 4.928 -11.589 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.467 6.700 -13.827 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.567 3.857 -13.285 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.514 4.502 -14.914 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.539 7.093 -14.945 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.570 4.060 -12.052 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.420 8.265 -14.418 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.455 5.239 -11.533 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.138 6.988 -11.957 1.00 0.00 H new ATOM 1490 N THR A 92 -15.624 4.224 -13.799 1.00 0.00 N ATOM 1491 CA THR A 92 -16.790 3.727 -14.506 1.00 0.00 C ATOM 1492 C THR A 92 -17.835 4.815 -14.514 1.00 0.00 C ATOM 1493 O THR A 92 -18.394 5.147 -15.551 1.00 0.00 O ATOM 1494 CB THR A 92 -17.349 2.476 -13.834 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.558 2.747 -12.471 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.390 1.300 -13.997 1.00 0.00 C ATOM 0 H THR A 92 -15.426 3.774 -12.905 1.00 0.00 H new ATOM 0 HA THR A 92 -16.508 3.458 -15.524 1.00 0.00 H new ATOM 0 HB THR A 92 -18.294 2.206 -14.306 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.700 2.729 -11.999 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.809 0.419 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.244 1.094 -15.057 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.432 1.546 -13.540 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.047 5.411 -13.355 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.990 6.506 -13.263 1.00 0.00 C ATOM 1506 C GLU A 93 -18.515 7.651 -14.138 1.00 0.00 C ATOM 1507 O GLU A 93 -19.320 8.351 -14.754 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.134 6.967 -11.827 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.937 5.928 -11.042 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.406 6.000 -11.440 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.772 6.948 -12.117 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.147 5.107 -11.061 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.587 5.160 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.966 6.166 -13.609 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.151 7.101 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.636 7.934 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.546 4.929 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.832 6.107 -9.972 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.196 7.825 -14.210 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.643 8.882 -15.042 1.00 0.00 C ATOM 1521 C HIS A 94 -17.103 8.651 -16.463 1.00 0.00 C ATOM 1522 O HIS A 94 -17.421 9.583 -17.201 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.115 8.880 -14.982 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.582 10.097 -15.683 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.417 10.146 -17.060 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.171 11.321 -15.215 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.927 11.361 -17.368 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.758 12.116 -16.279 1.00 0.00 N ATOM 0 H HIS A 94 -16.507 7.260 -13.713 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.989 9.850 -14.680 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.782 8.870 -13.944 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.724 7.977 -15.451 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.169 11.621 -14.177 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.698 11.686 -18.372 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.402 13.071 -16.237 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.161 7.380 -16.811 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.612 6.953 -18.130 1.00 0.00 C ATOM 1538 C ALA A 95 -19.042 6.442 -18.014 1.00 0.00 C ATOM 1539 O ALA A 95 -19.505 5.664 -18.836 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.705 5.843 -18.661 1.00 0.00 C ATOM 0 H ALA A 95 -16.898 6.613 -16.192 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.572 7.794 -18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.050 5.531 -19.647 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.682 6.213 -18.735 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.734 4.992 -17.980 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.728 6.905 -16.968 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.110 6.512 -16.692 1.00 0.00 C ATOM 1548 C LYS A 96 -21.331 5.036 -17.005 1.00 0.00 C ATOM 1549 O LYS A 96 -22.411 4.623 -17.427 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.139 7.392 -17.452 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.619 7.853 -18.828 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.697 6.703 -19.874 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.938 6.867 -20.762 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.928 5.824 -21.828 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.342 7.562 -16.290 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.275 6.672 -15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.064 6.831 -17.586 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.382 8.266 -16.847 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.205 8.704 -19.175 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.588 8.194 -18.734 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.798 6.703 -20.491 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.733 5.741 -19.363 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -23.843 6.779 -20.161 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.949 7.860 -21.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -23.769 5.935 -22.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.071 5.928 -22.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -22.937 4.880 -21.391 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.301 4.249 -16.766 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.370 2.806 -16.995 1.00 0.00 C ATOM 1570 C ARG A 97 -20.715 2.089 -15.703 1.00 0.00 C ATOM 1571 O ARG A 97 -20.511 2.605 -14.605 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.027 2.245 -17.523 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.880 2.468 -19.037 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.485 2.022 -19.498 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.397 2.084 -20.952 1.00 0.00 N ATOM 1576 CZ ARG A 97 -16.252 1.836 -21.580 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -15.183 1.530 -20.895 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -16.196 1.898 -22.882 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.402 4.578 -16.413 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.143 2.636 -17.745 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.200 2.727 -17.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.965 1.179 -17.303 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.646 1.907 -19.572 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.032 3.521 -19.275 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.724 2.662 -19.052 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.288 1.006 -19.156 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.227 2.321 -21.496 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.226 1.481 -19.877 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.305 1.340 -21.378 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.031 2.137 -23.418 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.318 1.708 -23.364 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.224 0.882 -15.860 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.580 0.035 -14.741 1.00 0.00 C ATOM 1594 C LYS A 98 -21.003 -1.347 -15.020 1.00 0.00 C ATOM 1595 O LYS A 98 -21.708 -2.256 -15.457 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.103 -0.028 -14.618 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.736 0.068 -16.010 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.238 -0.002 -15.868 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.891 0.003 -17.252 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.576 1.285 -17.945 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.402 0.461 -16.772 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.183 0.424 -13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.401 -0.959 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.461 0.786 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.446 1.001 -16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.379 -0.744 -16.644 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.519 -0.905 -15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.597 0.845 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.528 -0.840 -17.840 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -26.970 -0.116 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.233 1.420 -18.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.675 2.075 -17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -24.600 1.255 -18.304 1.00 0.00 H new ATOM 1614 N THR A 99 -19.700 -1.468 -14.809 1.00 0.00 N ATOM 1615 CA THR A 99 -18.999 -2.711 -15.084 1.00 0.00 C ATOM 1616 C THR A 99 -17.598 -2.679 -14.476 1.00 0.00 C ATOM 1617 O THR A 99 -16.993 -1.614 -14.361 1.00 0.00 O ATOM 1618 CB THR A 99 -18.893 -2.890 -16.599 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.196 -2.904 -17.165 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.187 -4.203 -16.910 1.00 0.00 C ATOM 0 H THR A 99 -19.108 -0.720 -14.448 1.00 0.00 H new ATOM 0 HA THR A 99 -19.550 -3.541 -14.643 1.00 0.00 H new ATOM 0 HB THR A 99 -18.321 -2.065 -17.023 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.841 -3.212 -16.494 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.112 -4.329 -17.990 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.187 -4.190 -16.476 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.756 -5.031 -16.487 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.074 -3.849 -14.114 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.723 -3.937 -13.547 1.00 0.00 C ATOM 1630 C VAL A 100 -14.823 -4.652 -14.550 1.00 0.00 C ATOM 1631 O VAL A 100 -15.134 -5.760 -14.986 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.746 -4.720 -12.232 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.351 -4.705 -11.601 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.747 -4.072 -11.272 1.00 0.00 C ATOM 0 H VAL A 100 -17.557 -4.743 -14.201 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.346 -2.934 -13.346 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.043 -5.750 -12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.369 -5.263 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.638 -5.166 -12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.052 -3.676 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.765 -4.628 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.449 -3.042 -11.077 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.741 -4.084 -11.720 1.00 0.00 H new ATOM 1644 N THR A 101 -13.721 -4.011 -14.933 1.00 0.00 N ATOM 1645 CA THR A 101 -12.800 -4.601 -15.910 1.00 0.00 C ATOM 1646 C THR A 101 -11.375 -4.583 -15.378 1.00 0.00 C ATOM 1647 O THR A 101 -11.018 -3.720 -14.576 1.00 0.00 O ATOM 1648 CB THR A 101 -12.856 -3.790 -17.211 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.335 -2.490 -16.970 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.307 -3.668 -17.686 1.00 0.00 C ATOM 0 H THR A 101 -13.443 -3.092 -14.588 1.00 0.00 H new ATOM 0 HA THR A 101 -13.098 -5.633 -16.094 1.00 0.00 H new ATOM 0 HB THR A 101 -12.267 -4.294 -17.977 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.366 -1.966 -17.798 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.340 -3.091 -18.610 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.716 -4.662 -17.864 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.899 -3.164 -16.922 1.00 0.00 H new ATOM 1658 N SER A 102 -10.554 -5.527 -15.832 1.00 0.00 N ATOM 1659 CA SER A 102 -9.175 -5.568 -15.382 1.00 0.00 C ATOM 1660 C SER A 102 -8.493 -4.268 -15.744 1.00 0.00 C ATOM 1661 O SER A 102 -7.469 -3.899 -15.177 1.00 0.00 O ATOM 1662 CB SER A 102 -8.396 -6.692 -16.069 1.00 0.00 C ATOM 1663 OG SER A 102 -8.064 -6.284 -17.390 1.00 0.00 O ATOM 0 H SER A 102 -10.816 -6.256 -16.496 1.00 0.00 H new ATOM 0 HA SER A 102 -9.186 -5.734 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.491 -6.921 -15.507 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.994 -7.603 -16.095 1.00 0.00 H new ATOM 0 HG SER A 102 -7.563 -6.998 -17.837 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.066 -3.592 -16.715 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.515 -2.340 -17.186 1.00 0.00 C ATOM 1671 C LEU A 103 -8.623 -1.269 -16.113 1.00 0.00 C ATOM 1672 O LEU A 103 -7.653 -0.576 -15.811 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.285 -1.911 -18.444 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.581 -2.404 -19.712 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.630 -3.931 -19.781 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.299 -1.822 -20.926 1.00 0.00 C ATOM 0 H LEU A 103 -9.916 -3.889 -17.195 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.459 -2.471 -17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.299 -2.310 -18.408 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.370 -0.825 -18.470 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.539 -2.084 -19.698 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.127 -4.271 -20.686 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.130 -4.351 -18.908 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.669 -4.261 -19.798 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.809 -2.164 -21.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.338 -2.152 -20.927 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.264 -0.733 -20.882 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.802 -1.135 -15.543 1.00 0.00 N ATOM 1689 CA ASP A 104 -10.003 -0.146 -14.513 1.00 0.00 C ATOM 1690 C ASP A 104 -9.155 -0.518 -13.312 1.00 0.00 C ATOM 1691 O ASP A 104 -8.645 0.346 -12.601 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.491 -0.074 -14.150 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.855 1.319 -13.655 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.947 2.072 -13.345 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -13.037 1.614 -13.605 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.625 -1.692 -15.774 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.700 0.840 -14.864 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.096 -0.326 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.719 -0.811 -13.380 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.977 -1.815 -13.117 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.144 -2.292 -12.027 1.00 0.00 C ATOM 1702 C VAL A 105 -6.719 -1.834 -12.277 1.00 0.00 C ATOM 1703 O VAL A 105 -6.037 -1.355 -11.376 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.204 -3.815 -11.951 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.154 -4.321 -10.945 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.618 -4.257 -11.512 1.00 0.00 C ATOM 0 H VAL A 105 -9.393 -2.548 -13.692 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.501 -1.889 -11.079 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.990 -4.239 -12.932 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.197 -5.409 -10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.160 -4.013 -11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.360 -3.900 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.659 -5.345 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.843 -3.837 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.351 -3.902 -12.236 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.298 -1.961 -13.528 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.974 -1.531 -13.923 1.00 0.00 C ATOM 1718 C VAL A 106 -4.826 -0.033 -13.685 1.00 0.00 C ATOM 1719 O VAL A 106 -3.790 0.435 -13.217 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.730 -1.894 -15.395 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.525 -1.125 -15.930 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.439 -3.397 -15.494 1.00 0.00 C ATOM 0 H VAL A 106 -6.858 -2.359 -14.282 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.224 -2.043 -13.320 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.613 -1.636 -15.980 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.360 -1.389 -16.975 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.713 -0.054 -15.852 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.641 -1.382 -15.346 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.264 -3.666 -16.536 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.554 -3.636 -14.904 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.292 -3.959 -15.113 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.878 0.706 -13.998 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.877 2.141 -13.804 1.00 0.00 C ATOM 1734 C TYR A 107 -5.737 2.421 -12.316 1.00 0.00 C ATOM 1735 O TYR A 107 -4.987 3.302 -11.905 1.00 0.00 O ATOM 1736 CB TYR A 107 -7.204 2.715 -14.311 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.451 2.398 -15.787 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.496 1.737 -16.598 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.690 2.746 -16.339 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.794 1.446 -17.935 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.978 2.453 -17.680 1.00 0.00 C ATOM 1742 CZ TYR A 107 -8.031 1.804 -18.474 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.319 1.515 -19.793 1.00 0.00 O ATOM 0 H TYR A 107 -6.743 0.332 -14.388 1.00 0.00 H new ATOM 0 HA TYR A 107 -5.053 2.601 -14.350 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.022 2.313 -13.714 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.207 3.796 -14.169 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.538 1.457 -16.185 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.429 3.243 -15.728 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.064 0.943 -18.552 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.934 2.730 -18.099 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.222 1.831 -20.007 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.449 1.641 -11.511 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.383 1.792 -10.069 1.00 0.00 C ATOM 1755 C ALA A 108 -4.971 1.481 -9.591 1.00 0.00 C ATOM 1756 O ALA A 108 -4.421 2.179 -8.737 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.386 0.860 -9.387 1.00 0.00 C ATOM 0 H ALA A 108 -7.074 0.903 -11.833 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.636 2.819 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.323 0.986 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.394 1.102 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.156 -0.174 -9.646 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.381 0.437 -10.169 1.00 0.00 N ATOM 1764 CA LEU A 109 -3.025 0.049 -9.821 1.00 0.00 C ATOM 1765 C LEU A 109 -2.043 1.155 -10.210 1.00 0.00 C ATOM 1766 O LEU A 109 -1.057 1.396 -9.513 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.655 -1.284 -10.512 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.134 -2.499 -9.695 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.156 -3.747 -10.591 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.154 -2.776 -8.543 1.00 0.00 C ATOM 0 H LEU A 109 -4.822 -0.150 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.965 -0.098 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.101 -1.315 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.575 -1.338 -10.645 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.129 -2.282 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.495 -4.605 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.836 -3.583 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.153 -3.940 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.500 -3.636 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.164 -2.985 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.102 -1.904 -7.892 1.00 0.00 H new