USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 36 GLN : amide:sc= -0.228 X(o=-1.6,f=-1.4) USER MOD Set 1.2: A 72 CYS SG : rot 80:sc= -1.36 USER MOD Single : A 28 ASN : amide:sc= -0.176 K(o=-0.18,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0705) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -132:sc= 1.46 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.6 K(o=-1.6,f=-7.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 69 TYR OH : rot 15:sc= 0.347 USER MOD Single : A 76 GLN : amide:sc= 0.126 K(o=0.13,f=-2.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.154 (180deg=-0.621) USER MOD Single : A 86 THR OG1 : rot -58:sc= -0.235 USER MOD Single : A 88 GLN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.197 -8.508 -6.941 1.00 0.00 N ATOM 104 CA VAL A 11 -0.672 -9.428 -5.940 1.00 0.00 C ATOM 105 C VAL A 11 0.267 -8.713 -4.974 1.00 0.00 C ATOM 106 O VAL A 11 1.003 -7.807 -5.365 1.00 0.00 O ATOM 107 CB VAL A 11 0.081 -10.602 -6.595 1.00 0.00 C ATOM 108 CG1 VAL A 11 0.448 -11.649 -5.555 1.00 0.00 C ATOM 109 CG2 VAL A 11 -0.752 -11.216 -7.710 1.00 0.00 C ATOM 0 HA VAL A 11 -1.528 -9.817 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 11 1.003 -10.219 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.979 -12.470 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.088 -11.199 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.459 -12.030 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.204 -12.043 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.693 -11.584 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.957 -10.461 -8.469 1.00 0.00 H new ATOM 119 N GLY A 12 0.236 -9.126 -3.712 1.00 0.00 N ATOM 120 CA GLY A 12 1.089 -8.514 -2.710 1.00 0.00 C ATOM 121 C GLY A 12 2.458 -9.161 -2.641 1.00 0.00 C ATOM 122 O GLY A 12 2.670 -10.241 -3.192 1.00 0.00 O ATOM 0 H GLY A 12 -0.365 -9.874 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.203 -7.453 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.607 -8.585 -1.735 1.00 0.00 H new ATOM 126 N ASP A 13 3.391 -8.498 -1.965 1.00 0.00 N ATOM 127 CA ASP A 13 4.747 -9.015 -1.826 1.00 0.00 C ATOM 128 C ASP A 13 4.885 -9.845 -0.555 1.00 0.00 C ATOM 129 O ASP A 13 3.972 -9.893 0.269 1.00 0.00 O ATOM 130 CB ASP A 13 5.754 -7.864 -1.810 1.00 0.00 C ATOM 131 CG ASP A 13 7.093 -8.258 -2.403 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.164 -8.447 -3.636 1.00 0.00 O ATOM 133 OD2 ASP A 13 8.070 -8.379 -1.635 1.00 0.00 O ATOM 0 H ASP A 13 3.232 -7.602 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 13 4.954 -9.658 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.347 -7.021 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.899 -7.527 -0.784 1.00 0.00 H new ATOM 138 N ASP A 14 6.032 -10.500 -0.403 1.00 0.00 N ATOM 139 CA ASP A 14 6.288 -11.330 0.769 1.00 0.00 C ATOM 140 C ASP A 14 7.126 -10.577 1.797 1.00 0.00 C ATOM 141 O ASP A 14 7.911 -11.178 2.532 1.00 0.00 O ATOM 142 CB ASP A 14 6.999 -12.621 0.360 1.00 0.00 C ATOM 143 CG ASP A 14 6.525 -13.820 1.159 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.308 -13.909 1.428 1.00 0.00 O ATOM 145 OD2 ASP A 14 7.369 -14.669 1.513 1.00 0.00 O ATOM 0 H ASP A 14 6.798 -10.472 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 14 5.329 -11.580 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.830 -12.805 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.074 -12.499 0.495 1.00 0.00 H new ATOM 150 N PHE A 15 6.955 -9.260 1.845 1.00 0.00 N ATOM 151 CA PHE A 15 7.696 -8.428 2.785 1.00 0.00 C ATOM 152 C PHE A 15 6.875 -7.211 3.201 1.00 0.00 C ATOM 153 O PHE A 15 6.566 -6.349 2.380 1.00 0.00 O ATOM 154 CB PHE A 15 9.021 -7.977 2.166 1.00 0.00 C ATOM 155 CG PHE A 15 10.177 -8.025 3.124 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.409 -6.980 4.004 1.00 0.00 C ATOM 157 CD2 PHE A 15 11.032 -9.116 3.144 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.472 -7.022 4.886 1.00 0.00 C ATOM 159 CE2 PHE A 15 12.097 -9.163 4.024 1.00 0.00 C ATOM 160 CZ PHE A 15 12.317 -8.115 4.896 1.00 0.00 C ATOM 0 H PHE A 15 6.310 -8.746 1.244 1.00 0.00 H new ATOM 0 HA PHE A 15 7.903 -9.025 3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.245 -8.609 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.911 -6.959 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.752 -6.123 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.864 -9.938 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.642 -6.201 5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.756 -10.018 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 15 13.148 -8.150 5.585 1.00 0.00 H new ATOM 170 N LEU A 16 6.525 -7.151 4.482 1.00 0.00 N ATOM 171 CA LEU A 16 5.738 -6.041 5.007 1.00 0.00 C ATOM 172 C LEU A 16 6.604 -4.799 5.200 1.00 0.00 C ATOM 173 O LEU A 16 6.109 -3.673 5.153 1.00 0.00 O ATOM 174 CB LEU A 16 5.089 -6.435 6.335 1.00 0.00 C ATOM 175 CG LEU A 16 3.851 -7.325 6.212 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.800 -8.333 7.348 1.00 0.00 C ATOM 177 CD2 LEU A 16 2.588 -6.477 6.192 1.00 0.00 C ATOM 0 H LEU A 16 6.774 -7.857 5.175 1.00 0.00 H new ATOM 0 HA LEU A 16 4.958 -5.807 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.830 -6.952 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.813 -5.527 6.871 1.00 0.00 H new ATOM 0 HG LEU A 16 3.914 -7.874 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.912 -8.956 7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.690 -8.961 7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.761 -7.805 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.716 -7.125 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.521 -5.902 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.621 -5.796 5.342 1.00 0.00 H new ATOM 189 N GLY A 17 7.899 -5.011 5.416 1.00 0.00 N ATOM 190 CA GLY A 17 8.808 -3.897 5.612 1.00 0.00 C ATOM 191 C GLY A 17 8.897 -3.467 7.063 1.00 0.00 C ATOM 192 O GLY A 17 8.977 -4.305 7.962 1.00 0.00 O ATOM 0 H GLY A 17 8.334 -5.933 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.800 -4.176 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.479 -3.053 5.006 1.00 0.00 H new ATOM 196 N ASP A 18 8.884 -2.158 7.292 1.00 0.00 N ATOM 197 CA ASP A 18 8.964 -1.618 8.644 1.00 0.00 C ATOM 198 C ASP A 18 8.144 -0.338 8.768 1.00 0.00 C ATOM 199 O ASP A 18 8.488 0.560 9.537 1.00 0.00 O ATOM 200 CB ASP A 18 10.421 -1.341 9.020 1.00 0.00 C ATOM 201 CG ASP A 18 11.100 -2.552 9.631 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.479 -3.209 10.491 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.253 -2.841 9.248 1.00 0.00 O ATOM 0 H ASP A 18 8.819 -1.452 6.559 1.00 0.00 H new ATOM 0 HA ASP A 18 8.553 -2.360 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.970 -1.030 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.460 -0.511 9.726 1.00 0.00 H new ATOM 208 N PHE A 19 7.060 -0.259 8.005 1.00 0.00 N ATOM 209 CA PHE A 19 6.190 0.911 8.029 1.00 0.00 C ATOM 210 C PHE A 19 5.104 0.760 9.088 1.00 0.00 C ATOM 211 O PHE A 19 4.492 -0.300 9.217 1.00 0.00 O ATOM 212 CB PHE A 19 5.553 1.127 6.655 1.00 0.00 C ATOM 213 CG PHE A 19 6.537 1.072 5.521 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.215 2.211 5.118 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.784 -0.120 4.859 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.122 2.162 4.076 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.689 -0.175 3.816 1.00 0.00 C ATOM 218 CZ PHE A 19 8.358 0.968 3.424 1.00 0.00 C ATOM 0 H PHE A 19 6.762 -0.992 7.361 1.00 0.00 H new ATOM 0 HA PHE A 19 6.798 1.780 8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.786 0.369 6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.052 2.095 6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.033 3.148 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.263 -1.016 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.645 3.057 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.873 -1.110 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.065 0.928 2.608 1.00 0.00 H new ATOM 228 N VAL A 20 4.868 1.828 9.843 1.00 0.00 N ATOM 229 CA VAL A 20 3.854 1.814 10.892 1.00 0.00 C ATOM 230 C VAL A 20 2.603 2.569 10.456 1.00 0.00 C ATOM 231 O VAL A 20 2.540 3.097 9.346 1.00 0.00 O ATOM 232 CB VAL A 20 4.387 2.436 12.196 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.410 1.518 12.847 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.984 3.809 11.927 1.00 0.00 C ATOM 0 H VAL A 20 5.365 2.714 9.748 1.00 0.00 H new ATOM 0 HA VAL A 20 3.600 0.770 11.074 1.00 0.00 H new ATOM 0 HB VAL A 20 3.553 2.558 12.887 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.775 1.975 13.767 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.944 0.560 13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.245 1.361 12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.356 4.233 12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.806 3.716 11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.218 4.463 11.510 1.00 0.00 H new ATOM 244 N VAL A 21 1.610 2.617 11.338 1.00 0.00 N ATOM 245 CA VAL A 21 0.360 3.308 11.045 1.00 0.00 C ATOM 246 C VAL A 21 0.417 4.763 11.498 1.00 0.00 C ATOM 247 O VAL A 21 0.504 5.048 12.692 1.00 0.00 O ATOM 248 CB VAL A 21 -0.837 2.618 11.723 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.146 3.228 11.246 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.810 1.120 11.456 1.00 0.00 C ATOM 0 H VAL A 21 1.647 2.186 12.262 1.00 0.00 H new ATOM 0 HA VAL A 21 0.225 3.271 9.964 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.762 2.774 12.799 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.981 2.727 11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.164 4.290 11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.233 3.105 10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.664 0.648 11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.860 0.941 10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.113 0.696 11.852 1.00 0.00 H new ATOM 260 N GLY A 22 0.369 5.680 10.537 1.00 0.00 N ATOM 261 CA GLY A 22 0.417 7.094 10.858 1.00 0.00 C ATOM 262 C GLY A 22 1.673 7.765 10.338 1.00 0.00 C ATOM 263 O GLY A 22 2.164 8.725 10.933 1.00 0.00 O ATOM 0 H GLY A 22 0.298 5.469 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.457 7.589 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.363 7.220 11.939 1.00 0.00 H new ATOM 267 N GLU A 23 2.195 7.259 9.225 1.00 0.00 N ATOM 268 CA GLU A 23 3.403 7.817 8.625 1.00 0.00 C ATOM 269 C GLU A 23 3.202 8.069 7.135 1.00 0.00 C ATOM 270 O GLU A 23 2.396 7.405 6.485 1.00 0.00 O ATOM 271 CB GLU A 23 4.586 6.872 8.840 1.00 0.00 C ATOM 272 CG GLU A 23 4.313 5.443 8.397 1.00 0.00 C ATOM 273 CD GLU A 23 5.573 4.712 7.978 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.034 4.930 6.837 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.099 3.923 8.790 1.00 0.00 O ATOM 0 H GLU A 23 1.801 6.465 8.721 1.00 0.00 H new ATOM 0 HA GLU A 23 3.615 8.769 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.449 7.254 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 6.871 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.836 4.899 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.609 5.453 7.565 1.00 0.00 H new ATOM 282 N ARG A 24 3.942 9.036 6.600 1.00 0.00 N ATOM 283 CA ARG A 24 3.846 9.378 5.186 1.00 0.00 C ATOM 284 C ARG A 24 4.840 8.568 4.360 1.00 0.00 C ATOM 285 O ARG A 24 6.053 8.711 4.515 1.00 0.00 O ATOM 286 CB ARG A 24 4.096 10.874 4.984 1.00 0.00 C ATOM 287 CG ARG A 24 2.866 11.734 5.223 1.00 0.00 C ATOM 288 CD ARG A 24 2.696 12.069 6.696 1.00 0.00 C ATOM 289 NE ARG A 24 3.111 13.438 6.997 1.00 0.00 N ATOM 290 CZ ARG A 24 3.398 13.873 8.223 1.00 0.00 C ATOM 291 NH1 ARG A 24 3.317 13.051 9.263 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.767 15.132 8.409 1.00 0.00 N ATOM 0 H ARG A 24 4.614 9.596 7.125 1.00 0.00 H new ATOM 0 HA ARG A 24 2.839 9.136 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.890 11.195 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.453 11.040 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.948 12.656 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.980 11.211 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.652 11.936 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.281 11.372 7.296 1.00 0.00 H new ATOM 0 HE ARG A 24 3.185 14.099 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.034 12.081 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.538 13.390 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.831 15.767 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.987 15.466 9.347 1.00 0.00 H new ATOM 306 N VAL A 25 4.318 7.715 3.484 1.00 0.00 N ATOM 307 CA VAL A 25 5.158 6.881 2.635 1.00 0.00 C ATOM 308 C VAL A 25 4.986 7.245 1.164 1.00 0.00 C ATOM 309 O VAL A 25 3.869 7.467 0.696 1.00 0.00 O ATOM 310 CB VAL A 25 4.838 5.387 2.822 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.281 4.913 4.198 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.354 5.129 2.614 1.00 0.00 C ATOM 0 H VAL A 25 3.316 7.584 3.344 1.00 0.00 H new ATOM 0 HA VAL A 25 6.190 7.064 2.934 1.00 0.00 H new ATOM 0 HB VAL A 25 5.391 4.820 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.046 3.855 4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.356 5.060 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.759 5.485 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.147 4.068 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.779 5.707 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.071 5.427 1.605 1.00 0.00 H new ATOM 322 N TRP A 26 6.098 7.305 0.439 1.00 0.00 N ATOM 323 CA TRP A 26 6.069 7.642 -0.979 1.00 0.00 C ATOM 324 C TRP A 26 5.833 6.397 -1.828 1.00 0.00 C ATOM 325 O TRP A 26 6.737 5.583 -2.020 1.00 0.00 O ATOM 326 CB TRP A 26 7.378 8.315 -1.393 1.00 0.00 C ATOM 327 CG TRP A 26 7.422 9.778 -1.069 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.342 10.816 -1.952 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.557 10.365 0.230 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.419 12.012 -1.282 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.552 11.761 0.060 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.683 9.844 1.521 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.666 12.643 1.132 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.796 10.720 2.585 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.786 12.106 2.384 1.00 0.00 C ATOM 0 H TRP A 26 7.031 7.125 0.810 1.00 0.00 H new ATOM 0 HA TRP A 26 5.245 8.336 -1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.209 7.815 -0.895 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.523 8.183 -2.465 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.234 10.712 -3.022 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.383 12.936 -1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.692 8.776 1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.660 13.712 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.894 10.329 3.587 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.875 12.764 3.235 1.00 0.00 H new ATOM 346 N VAL A 27 4.612 6.255 -2.333 1.00 0.00 N ATOM 347 CA VAL A 27 4.256 5.110 -3.162 1.00 0.00 C ATOM 348 C VAL A 27 4.880 5.219 -4.549 1.00 0.00 C ATOM 349 O VAL A 27 4.559 6.128 -5.314 1.00 0.00 O ATOM 350 CB VAL A 27 2.729 4.973 -3.305 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.371 3.692 -4.042 1.00 0.00 C ATOM 352 CG2 VAL A 27 2.056 5.017 -1.940 1.00 0.00 C ATOM 0 H VAL A 27 3.852 6.919 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 27 4.646 4.224 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 27 2.364 5.816 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.287 3.615 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.818 3.707 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.751 2.834 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.977 4.919 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.427 4.198 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.281 5.966 -1.454 1.00 0.00 H new ATOM 362 N ASN A 28 5.772 4.287 -4.867 1.00 0.00 N ATOM 363 CA ASN A 28 6.440 4.278 -6.163 1.00 0.00 C ATOM 364 C ASN A 28 7.237 5.562 -6.375 1.00 0.00 C ATOM 365 O ASN A 28 7.444 5.993 -7.510 1.00 0.00 O ATOM 366 CB ASN A 28 5.416 4.108 -7.286 1.00 0.00 C ATOM 367 CG ASN A 28 4.887 2.690 -7.378 1.00 0.00 C ATOM 368 OD1 ASN A 28 3.932 2.326 -6.694 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.510 1.881 -8.228 1.00 0.00 N ATOM 0 H ASN A 28 6.049 3.528 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 28 7.132 3.436 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.584 4.793 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.874 4.384 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.200 0.915 -8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.298 2.226 -8.776 1.00 0.00 H new ATOM 376 N GLY A 29 7.682 6.167 -5.279 1.00 0.00 N ATOM 377 CA GLY A 29 8.452 7.394 -5.370 1.00 0.00 C ATOM 378 C GLY A 29 7.701 8.499 -6.088 1.00 0.00 C ATOM 379 O GLY A 29 8.309 9.357 -6.727 1.00 0.00 O ATOM 0 H GLY A 29 7.523 5.830 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.714 7.730 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.387 7.195 -5.894 1.00 0.00 H new ATOM 383 N VAL A 30 6.377 8.477 -5.982 1.00 0.00 N ATOM 384 CA VAL A 30 5.542 9.484 -6.627 1.00 0.00 C ATOM 385 C VAL A 30 5.109 10.557 -5.634 1.00 0.00 C ATOM 386 O VAL A 30 5.518 11.713 -5.736 1.00 0.00 O ATOM 387 CB VAL A 30 4.290 8.853 -7.263 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.541 9.879 -8.101 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.670 7.644 -8.105 1.00 0.00 C ATOM 0 H VAL A 30 5.859 7.773 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 30 6.146 9.941 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 30 3.629 8.518 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.659 9.414 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.234 10.712 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.192 10.247 -8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.772 7.211 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.352 7.952 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.159 6.901 -7.475 1.00 0.00 H new ATOM 399 N LYS A 31 4.276 10.166 -4.674 1.00 0.00 N ATOM 400 CA LYS A 31 3.787 11.096 -3.663 1.00 0.00 C ATOM 401 C LYS A 31 3.607 10.396 -2.318 1.00 0.00 C ATOM 402 O LYS A 31 3.294 9.207 -2.266 1.00 0.00 O ATOM 403 CB LYS A 31 2.461 11.716 -4.109 1.00 0.00 C ATOM 404 CG LYS A 31 2.630 12.961 -4.966 1.00 0.00 C ATOM 405 CD LYS A 31 1.482 13.116 -5.952 1.00 0.00 C ATOM 406 CE LYS A 31 1.805 14.145 -7.024 1.00 0.00 C ATOM 407 NZ LYS A 31 2.785 13.625 -8.016 1.00 0.00 N ATOM 0 H LYS A 31 3.926 9.213 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 31 4.529 11.886 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.892 10.974 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.873 11.969 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.683 13.841 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.573 12.905 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.271 12.155 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.580 13.416 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.888 14.434 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.205 15.044 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.826 14.267 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.725 13.564 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.490 12.680 -8.333 1.00 0.00 H new ATOM 421 N PRO A 32 3.804 11.129 -1.208 1.00 0.00 N ATOM 422 CA PRO A 32 3.663 10.572 0.141 1.00 0.00 C ATOM 423 C PRO A 32 2.203 10.348 0.526 1.00 0.00 C ATOM 424 O PRO A 32 1.304 11.001 -0.005 1.00 0.00 O ATOM 425 CB PRO A 32 4.292 11.645 1.030 1.00 0.00 C ATOM 426 CG PRO A 32 4.095 12.916 0.279 1.00 0.00 C ATOM 427 CD PRO A 32 4.181 12.556 -1.180 1.00 0.00 C ATOM 0 HA PRO A 32 4.133 9.593 0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.810 11.683 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.350 11.447 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.129 13.362 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.857 13.648 0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.504 13.161 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.185 12.713 -1.573 1.00 0.00 H new ATOM 435 N GLY A 33 1.976 9.423 1.451 1.00 0.00 N ATOM 436 CA GLY A 33 0.624 9.130 1.892 1.00 0.00 C ATOM 437 C GLY A 33 0.579 8.587 3.306 1.00 0.00 C ATOM 438 O GLY A 33 1.451 7.815 3.709 1.00 0.00 O ATOM 0 H GLY A 33 2.704 8.870 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.022 10.037 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.173 8.406 1.214 1.00 0.00 H new ATOM 442 N VAL A 34 -0.437 8.990 4.062 1.00 0.00 N ATOM 443 CA VAL A 34 -0.592 8.539 5.440 1.00 0.00 C ATOM 444 C VAL A 34 -1.085 7.097 5.495 1.00 0.00 C ATOM 445 O VAL A 34 -2.181 6.787 5.031 1.00 0.00 O ATOM 446 CB VAL A 34 -1.574 9.436 6.219 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.602 9.048 7.690 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.205 10.903 6.055 1.00 0.00 C ATOM 0 H VAL A 34 -1.166 9.629 3.743 1.00 0.00 H new ATOM 0 HA VAL A 34 0.392 8.602 5.905 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.573 9.288 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.301 9.693 8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.920 8.010 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.605 9.163 8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.910 11.520 6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.197 11.069 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.243 11.172 4.999 1.00 0.00 H new ATOM 458 N VAL A 35 -0.267 6.219 6.067 1.00 0.00 N ATOM 459 CA VAL A 35 -0.619 4.809 6.184 1.00 0.00 C ATOM 460 C VAL A 35 -1.686 4.597 7.253 1.00 0.00 C ATOM 461 O VAL A 35 -1.678 5.257 8.292 1.00 0.00 O ATOM 462 CB VAL A 35 0.612 3.949 6.525 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.264 2.469 6.471 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.763 4.269 5.582 1.00 0.00 C ATOM 0 H VAL A 35 0.644 6.460 6.457 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.011 4.499 5.216 1.00 0.00 H new ATOM 0 HB VAL A 35 0.927 4.186 7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.147 1.878 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.526 2.255 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.079 2.212 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.625 3.652 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.460 4.063 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.029 5.322 5.677 1.00 0.00 H new ATOM 474 N GLN A 36 -2.603 3.672 6.990 1.00 0.00 N ATOM 475 CA GLN A 36 -3.678 3.373 7.930 1.00 0.00 C ATOM 476 C GLN A 36 -3.713 1.884 8.260 1.00 0.00 C ATOM 477 O GLN A 36 -3.816 1.498 9.424 1.00 0.00 O ATOM 478 CB GLN A 36 -5.025 3.810 7.352 1.00 0.00 C ATOM 479 CG GLN A 36 -5.409 5.236 7.715 1.00 0.00 C ATOM 480 CD GLN A 36 -6.099 5.329 9.061 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.327 5.361 9.142 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.310 5.371 10.128 1.00 0.00 N ATOM 0 H GLN A 36 -2.624 3.117 6.135 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.488 3.927 8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.993 3.716 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.801 3.132 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.514 5.858 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.067 5.638 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.297 5.342 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.717 5.432 11.061 1.00 0.00 H new ATOM 491 N TYR A 37 -3.628 1.051 7.227 1.00 0.00 N ATOM 492 CA TYR A 37 -3.650 -0.396 7.407 1.00 0.00 C ATOM 493 C TYR A 37 -2.368 -1.030 6.878 1.00 0.00 C ATOM 494 O TYR A 37 -1.793 -0.564 5.894 1.00 0.00 O ATOM 495 CB TYR A 37 -4.863 -1.000 6.697 1.00 0.00 C ATOM 496 CG TYR A 37 -5.248 -2.369 7.213 1.00 0.00 C ATOM 497 CD1 TYR A 37 -4.518 -3.496 6.860 1.00 0.00 C ATOM 498 CD2 TYR A 37 -6.342 -2.531 8.054 1.00 0.00 C ATOM 499 CE1 TYR A 37 -4.867 -4.748 7.329 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.697 -3.780 8.528 1.00 0.00 C ATOM 501 CZ TYR A 37 -5.957 -4.885 8.162 1.00 0.00 C ATOM 502 OH TYR A 37 -6.307 -6.130 8.633 1.00 0.00 O ATOM 0 H TYR A 37 -3.543 1.354 6.257 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.722 -0.604 8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.712 -0.326 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.651 -1.070 5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.663 -3.392 6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.924 -1.668 8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.289 -5.615 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.550 -3.890 9.182 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.097 -6.052 9.208 1.00 0.00 H new ATOM 512 N LEU A 38 -1.925 -2.096 7.536 1.00 0.00 N ATOM 513 CA LEU A 38 -0.711 -2.796 7.132 1.00 0.00 C ATOM 514 C LEU A 38 -0.836 -4.294 7.388 1.00 0.00 C ATOM 515 O LEU A 38 -0.676 -4.756 8.518 1.00 0.00 O ATOM 516 CB LEU A 38 0.499 -2.236 7.882 1.00 0.00 C ATOM 517 CG LEU A 38 0.889 -0.805 7.508 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.498 -0.089 8.703 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.856 -0.808 6.335 1.00 0.00 C ATOM 0 H LEU A 38 -2.389 -2.494 8.352 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.570 -2.640 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.292 -2.272 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.353 -2.888 7.700 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.011 -0.268 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.769 0.928 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.773 -0.057 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.389 -0.624 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.124 0.218 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.755 -1.361 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.383 -1.283 5.475 1.00 0.00 H new ATOM 531 N GLY A 39 -1.121 -5.048 6.332 1.00 0.00 N ATOM 532 CA GLY A 39 -1.261 -6.487 6.465 1.00 0.00 C ATOM 533 C GLY A 39 -1.870 -7.126 5.231 1.00 0.00 C ATOM 534 O GLY A 39 -1.888 -6.526 4.157 1.00 0.00 O ATOM 0 H GLY A 39 -1.258 -4.689 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.282 -6.928 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.884 -6.710 7.331 1.00 0.00 H new ATOM 538 N GLU A 40 -2.369 -8.349 5.387 1.00 0.00 N ATOM 539 CA GLU A 40 -2.982 -9.071 4.278 1.00 0.00 C ATOM 540 C GLU A 40 -4.321 -8.448 3.897 1.00 0.00 C ATOM 541 O GLU A 40 -4.977 -7.809 4.719 1.00 0.00 O ATOM 542 CB GLU A 40 -3.178 -10.542 4.647 1.00 0.00 C ATOM 543 CG GLU A 40 -1.916 -11.214 5.161 1.00 0.00 C ATOM 544 CD GLU A 40 -2.209 -12.333 6.142 1.00 0.00 C ATOM 545 OE1 GLU A 40 -3.110 -13.150 5.857 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.539 -12.391 7.194 1.00 0.00 O ATOM 0 H GLU A 40 -2.361 -8.860 6.270 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.313 -9.004 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.955 -10.617 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.537 -11.083 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.352 -11.613 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.283 -10.469 5.644 1.00 0.00 H new ATOM 553 N THR A 41 -4.720 -8.638 2.644 1.00 0.00 N ATOM 554 CA THR A 41 -5.981 -8.095 2.152 1.00 0.00 C ATOM 555 C THR A 41 -6.992 -9.210 1.903 1.00 0.00 C ATOM 556 O THR A 41 -6.692 -10.387 2.094 1.00 0.00 O ATOM 557 CB THR A 41 -5.751 -7.302 0.865 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.969 -8.048 -0.051 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.053 -5.979 1.093 1.00 0.00 C ATOM 0 H THR A 41 -4.188 -9.164 1.950 1.00 0.00 H new ATOM 0 HA THR A 41 -6.383 -7.428 2.914 1.00 0.00 H new ATOM 0 HB THR A 41 -6.746 -7.105 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.247 -7.485 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.921 -5.468 0.139 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.656 -5.359 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.078 -6.156 1.548 1.00 0.00 H new ATOM 567 N GLN A 42 -8.191 -8.829 1.475 1.00 0.00 N ATOM 568 CA GLN A 42 -9.248 -9.797 1.200 1.00 0.00 C ATOM 569 C GLN A 42 -9.643 -9.771 -0.273 1.00 0.00 C ATOM 570 O GLN A 42 -10.776 -10.096 -0.628 1.00 0.00 O ATOM 571 CB GLN A 42 -10.471 -9.510 2.073 1.00 0.00 C ATOM 572 CG GLN A 42 -10.381 -10.115 3.464 1.00 0.00 C ATOM 573 CD GLN A 42 -11.039 -11.478 3.551 1.00 0.00 C ATOM 574 OE1 GLN A 42 -12.236 -11.586 3.822 1.00 0.00 O ATOM 575 NE2 GLN A 42 -10.260 -12.528 3.321 1.00 0.00 N ATOM 0 H GLN A 42 -8.455 -7.858 1.311 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.866 -10.790 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.598 -8.431 2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.361 -9.895 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.333 -10.203 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.852 -9.442 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.274 -12.392 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.648 -13.470 3.365 1.00 0.00 H new ATOM 584 N PHE A 43 -8.703 -9.381 -1.130 1.00 0.00 N ATOM 585 CA PHE A 43 -8.957 -9.314 -2.564 1.00 0.00 C ATOM 586 C PHE A 43 -7.832 -9.984 -3.350 1.00 0.00 C ATOM 587 O PHE A 43 -8.083 -10.741 -4.287 1.00 0.00 O ATOM 588 CB PHE A 43 -9.117 -7.858 -3.011 1.00 0.00 C ATOM 589 CG PHE A 43 -7.853 -7.051 -2.916 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.927 -7.067 -3.947 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.591 -6.277 -1.797 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.764 -6.326 -3.865 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.429 -5.533 -1.709 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.514 -5.558 -2.744 1.00 0.00 C ATOM 0 H PHE A 43 -7.760 -9.107 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.884 -9.850 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.471 -7.841 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.886 -7.383 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.117 -7.666 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.302 -6.255 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.051 -6.347 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.237 -4.933 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.605 -4.978 -2.677 1.00 0.00 H new ATOM 604 N ALA A 44 -6.593 -9.700 -2.960 1.00 0.00 N ATOM 605 CA ALA A 44 -5.432 -10.275 -3.628 1.00 0.00 C ATOM 606 C ALA A 44 -4.527 -10.994 -2.631 1.00 0.00 C ATOM 607 O ALA A 44 -4.434 -10.600 -1.469 1.00 0.00 O ATOM 608 CB ALA A 44 -4.655 -9.191 -4.361 1.00 0.00 C ATOM 0 H ALA A 44 -6.368 -9.076 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.786 -11.007 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.791 -9.634 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.298 -8.723 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.319 -8.439 -3.647 1.00 0.00 H new ATOM 614 N PRO A 45 -3.845 -12.065 -3.074 1.00 0.00 N ATOM 615 CA PRO A 45 -2.945 -12.839 -2.214 1.00 0.00 C ATOM 616 C PRO A 45 -1.675 -12.072 -1.865 1.00 0.00 C ATOM 617 O PRO A 45 -1.373 -11.043 -2.469 1.00 0.00 O ATOM 618 CB PRO A 45 -2.612 -14.068 -3.062 1.00 0.00 C ATOM 619 CG PRO A 45 -2.782 -13.613 -4.469 1.00 0.00 C ATOM 620 CD PRO A 45 -3.898 -12.604 -4.447 1.00 0.00 C ATOM 0 HA PRO A 45 -3.404 -13.079 -1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.595 -14.413 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.277 -14.900 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.862 -13.169 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.026 -14.450 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.748 -11.822 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.862 -13.066 -4.660 1.00 0.00 H new ATOM 628 N GLY A 46 -0.932 -12.579 -0.886 1.00 0.00 N ATOM 629 CA GLY A 46 0.297 -11.929 -0.474 1.00 0.00 C ATOM 630 C GLY A 46 0.056 -10.802 0.512 1.00 0.00 C ATOM 631 O GLY A 46 -1.088 -10.494 0.844 1.00 0.00 O ATOM 0 H GLY A 46 -1.160 -13.429 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.961 -12.667 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.808 -11.536 -1.353 1.00 0.00 H new ATOM 635 N GLN A 47 1.137 -10.187 0.981 1.00 0.00 N ATOM 636 CA GLN A 47 1.038 -9.088 1.934 1.00 0.00 C ATOM 637 C GLN A 47 0.725 -7.777 1.222 1.00 0.00 C ATOM 638 O GLN A 47 1.224 -7.520 0.126 1.00 0.00 O ATOM 639 CB GLN A 47 2.339 -8.954 2.727 1.00 0.00 C ATOM 640 CG GLN A 47 2.669 -10.178 3.565 1.00 0.00 C ATOM 641 CD GLN A 47 1.709 -10.366 4.725 1.00 0.00 C ATOM 642 OE1 GLN A 47 0.679 -9.698 4.808 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.045 -11.279 5.628 1.00 0.00 N ATOM 0 H GLN A 47 2.091 -10.431 0.716 1.00 0.00 H new ATOM 0 HA GLN A 47 0.223 -9.310 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.159 -8.766 2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.268 -8.085 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.646 -11.065 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.685 -10.088 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.909 -11.810 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.439 -11.450 6.431 1.00 0.00 H new ATOM 652 N TRP A 48 -0.105 -6.951 1.851 1.00 0.00 N ATOM 653 CA TRP A 48 -0.484 -5.665 1.277 1.00 0.00 C ATOM 654 C TRP A 48 -0.292 -4.539 2.288 1.00 0.00 C ATOM 655 O TRP A 48 0.090 -4.777 3.433 1.00 0.00 O ATOM 656 CB TRP A 48 -1.940 -5.704 0.809 1.00 0.00 C ATOM 657 CG TRP A 48 -2.104 -6.246 -0.576 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.228 -7.557 -0.931 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.163 -5.493 -1.793 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.360 -7.667 -2.294 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.323 -6.413 -2.846 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.097 -4.129 -2.094 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.417 -6.013 -4.176 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.190 -3.734 -3.416 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.349 -4.673 -4.442 1.00 0.00 C ATOM 0 H TRP A 48 -0.528 -7.149 2.758 1.00 0.00 H new ATOM 0 HA TRP A 48 0.162 -5.472 0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.520 -6.314 1.501 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.354 -4.696 0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.223 -8.388 -0.241 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.468 -8.540 -2.811 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.976 -3.398 -1.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.539 -6.735 -4.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.139 -2.683 -3.661 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.419 -4.332 -5.464 1.00 0.00 H new ATOM 676 N ALA A 49 -0.560 -3.312 1.855 1.00 0.00 N ATOM 677 CA ALA A 49 -0.417 -2.148 2.721 1.00 0.00 C ATOM 678 C ALA A 49 -1.252 -0.978 2.210 1.00 0.00 C ATOM 679 O ALA A 49 -1.014 -0.463 1.117 1.00 0.00 O ATOM 680 CB ALA A 49 1.048 -1.750 2.831 1.00 0.00 C ATOM 0 H ALA A 49 -0.877 -3.098 0.910 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.784 -2.414 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.141 -0.880 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.620 -2.578 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.434 -1.507 1.841 1.00 0.00 H new ATOM 686 N GLY A 50 -2.230 -0.563 3.008 1.00 0.00 N ATOM 687 CA GLY A 50 -3.085 0.543 2.619 1.00 0.00 C ATOM 688 C GLY A 50 -2.494 1.890 2.987 1.00 0.00 C ATOM 689 O GLY A 50 -1.908 2.046 4.058 1.00 0.00 O ATOM 0 H GLY A 50 -2.446 -0.973 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.255 0.506 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.057 0.433 3.099 1.00 0.00 H new ATOM 693 N VAL A 51 -2.649 2.865 2.098 1.00 0.00 N ATOM 694 CA VAL A 51 -2.125 4.205 2.335 1.00 0.00 C ATOM 695 C VAL A 51 -3.159 5.269 1.982 1.00 0.00 C ATOM 696 O VAL A 51 -4.041 5.041 1.154 1.00 0.00 O ATOM 697 CB VAL A 51 -0.844 4.461 1.521 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.198 5.772 1.939 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.130 3.303 1.681 1.00 0.00 C ATOM 0 H VAL A 51 -3.133 2.753 1.207 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.889 4.268 3.397 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.114 4.536 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.706 5.935 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.895 6.592 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.059 5.730 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.030 3.501 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.395 3.193 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.336 2.384 1.327 1.00 0.00 H new ATOM 709 N VAL A 52 -3.044 6.432 2.616 1.00 0.00 N ATOM 710 CA VAL A 52 -3.969 7.531 2.369 1.00 0.00 C ATOM 711 C VAL A 52 -3.249 8.726 1.755 1.00 0.00 C ATOM 712 O VAL A 52 -2.506 9.434 2.436 1.00 0.00 O ATOM 713 CB VAL A 52 -4.669 7.980 3.664 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.774 8.978 3.357 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.221 6.778 4.417 1.00 0.00 C ATOM 0 H VAL A 52 -2.320 6.637 3.304 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.719 7.161 1.670 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.933 8.473 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.257 9.283 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.348 9.852 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.510 8.515 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.712 7.115 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.942 6.255 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.405 6.102 4.672 1.00 0.00 H new ATOM 725 N LEU A 53 -3.474 8.947 0.464 1.00 0.00 N ATOM 726 CA LEU A 53 -2.847 10.057 -0.243 1.00 0.00 C ATOM 727 C LEU A 53 -3.459 11.388 0.181 1.00 0.00 C ATOM 728 O LEU A 53 -4.632 11.453 0.550 1.00 0.00 O ATOM 729 CB LEU A 53 -2.993 9.873 -1.755 1.00 0.00 C ATOM 730 CG LEU A 53 -2.258 8.664 -2.334 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.706 8.400 -3.763 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.753 8.877 -2.277 1.00 0.00 C ATOM 0 H LEU A 53 -4.086 8.371 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.788 10.067 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.053 9.783 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.629 10.772 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.505 7.791 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.172 7.536 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.778 8.202 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.490 9.273 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.246 8.006 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.489 9.762 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.444 9.016 -1.241 1.00 0.00 H new ATOM 744 N ASP A 54 -2.658 12.446 0.127 1.00 0.00 N ATOM 745 CA ASP A 54 -3.121 13.776 0.505 1.00 0.00 C ATOM 746 C ASP A 54 -4.138 14.305 -0.502 1.00 0.00 C ATOM 747 O ASP A 54 -5.229 14.735 -0.129 1.00 0.00 O ATOM 748 CB ASP A 54 -1.939 14.741 0.608 1.00 0.00 C ATOM 749 CG ASP A 54 -2.268 15.972 1.430 1.00 0.00 C ATOM 750 OD1 ASP A 54 -3.451 16.370 1.455 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.341 16.539 2.047 1.00 0.00 O ATOM 0 H ASP A 54 -1.684 12.409 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.605 13.701 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.090 14.225 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.635 15.047 -0.393 1.00 0.00 H new ATOM 756 N ASP A 55 -3.772 14.270 -1.779 1.00 0.00 N ATOM 757 CA ASP A 55 -4.653 14.744 -2.840 1.00 0.00 C ATOM 758 C ASP A 55 -5.592 13.636 -3.307 1.00 0.00 C ATOM 759 O ASP A 55 -5.270 12.452 -3.202 1.00 0.00 O ATOM 760 CB ASP A 55 -3.829 15.262 -4.021 1.00 0.00 C ATOM 761 CG ASP A 55 -2.983 16.466 -3.653 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.492 17.601 -3.752 1.00 0.00 O ATOM 763 OD2 ASP A 55 -1.811 16.271 -3.266 1.00 0.00 O ATOM 0 H ASP A 55 -2.871 13.918 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.256 15.559 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.182 14.465 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.499 15.528 -4.839 1.00 0.00 H new ATOM 768 N PRO A 56 -6.773 14.006 -3.832 1.00 0.00 N ATOM 769 CA PRO A 56 -7.760 13.037 -4.317 1.00 0.00 C ATOM 770 C PRO A 56 -7.319 12.361 -5.612 1.00 0.00 C ATOM 771 O PRO A 56 -7.966 12.502 -6.651 1.00 0.00 O ATOM 772 CB PRO A 56 -9.007 13.890 -4.553 1.00 0.00 C ATOM 773 CG PRO A 56 -8.483 15.258 -4.825 1.00 0.00 C ATOM 774 CD PRO A 56 -7.236 15.397 -3.995 1.00 0.00 C ATOM 0 HA PRO A 56 -7.914 12.221 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.590 13.515 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.662 13.883 -3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.263 15.388 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.217 16.018 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.488 16.013 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.444 15.866 -3.033 1.00 0.00 H new ATOM 782 N VAL A 57 -6.212 11.628 -5.543 1.00 0.00 N ATOM 783 CA VAL A 57 -5.684 10.931 -6.710 1.00 0.00 C ATOM 784 C VAL A 57 -5.412 9.463 -6.396 1.00 0.00 C ATOM 785 O VAL A 57 -4.508 8.854 -6.968 1.00 0.00 O ATOM 786 CB VAL A 57 -4.384 11.585 -7.212 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.675 12.932 -7.854 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.385 11.734 -6.073 1.00 0.00 C ATOM 0 H VAL A 57 -5.664 11.502 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.442 10.999 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.943 10.936 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.743 13.378 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.349 12.794 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.141 13.591 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.473 12.198 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.816 12.359 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.151 10.751 -5.664 1.00 0.00 H new ATOM 798 N GLY A 58 -6.200 8.901 -5.485 1.00 0.00 N ATOM 799 CA GLY A 58 -6.027 7.509 -5.114 1.00 0.00 C ATOM 800 C GLY A 58 -6.875 6.574 -5.954 1.00 0.00 C ATOM 801 O GLY A 58 -6.948 6.720 -7.174 1.00 0.00 O ATOM 0 H GLY A 58 -6.954 9.384 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.977 7.236 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.285 7.382 -4.063 1.00 0.00 H new ATOM 805 N LYS A 59 -7.516 5.611 -5.300 1.00 0.00 N ATOM 806 CA LYS A 59 -8.362 4.648 -5.994 1.00 0.00 C ATOM 807 C LYS A 59 -9.545 4.237 -5.125 1.00 0.00 C ATOM 808 O LYS A 59 -10.693 4.573 -5.420 1.00 0.00 O ATOM 809 CB LYS A 59 -7.550 3.413 -6.386 1.00 0.00 C ATOM 810 CG LYS A 59 -6.686 3.618 -7.620 1.00 0.00 C ATOM 811 CD LYS A 59 -6.597 2.351 -8.454 1.00 0.00 C ATOM 812 CE LYS A 59 -5.923 2.610 -9.791 1.00 0.00 C ATOM 813 NZ LYS A 59 -5.266 1.387 -10.329 1.00 0.00 N ATOM 0 H LYS A 59 -7.465 5.477 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.745 5.124 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.912 3.128 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.232 2.582 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.100 4.425 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.685 3.927 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.040 1.592 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.598 1.953 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.663 2.969 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.181 3.400 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.818 1.606 -11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.542 1.058 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.978 0.641 -10.463 1.00 0.00 H new ATOM 827 N ASN A 60 -9.259 3.507 -4.052 1.00 0.00 N ATOM 828 CA ASN A 60 -10.299 3.048 -3.138 1.00 0.00 C ATOM 829 C ASN A 60 -10.497 4.040 -1.996 1.00 0.00 C ATOM 830 O ASN A 60 -9.709 4.972 -1.827 1.00 0.00 O ATOM 831 CB ASN A 60 -9.943 1.671 -2.577 1.00 0.00 C ATOM 832 CG ASN A 60 -9.644 0.661 -3.667 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.544 0.215 -4.379 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.375 0.296 -3.802 1.00 0.00 N ATOM 0 H ASN A 60 -8.315 3.220 -3.794 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.232 2.975 -3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.076 1.762 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.768 1.307 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.112 -0.381 -4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.662 0.692 -3.189 1.00 0.00 H new ATOM 841 N ASP A 61 -11.552 3.833 -1.215 1.00 0.00 N ATOM 842 CA ASP A 61 -11.854 4.708 -0.088 1.00 0.00 C ATOM 843 C ASP A 61 -11.746 3.952 1.232 1.00 0.00 C ATOM 844 O ASP A 61 -12.453 4.257 2.192 1.00 0.00 O ATOM 845 CB ASP A 61 -13.255 5.302 -0.237 1.00 0.00 C ATOM 846 CG ASP A 61 -14.333 4.237 -0.286 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.819 3.835 0.792 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.691 3.806 -1.401 1.00 0.00 O ATOM 0 H ASP A 61 -12.213 3.066 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.124 5.517 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.451 5.976 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.298 5.900 -1.147 1.00 0.00 H new ATOM 853 N GLY A 62 -10.857 2.966 1.272 1.00 0.00 N ATOM 854 CA GLY A 62 -10.674 2.182 2.480 1.00 0.00 C ATOM 855 C GLY A 62 -11.322 0.814 2.388 1.00 0.00 C ATOM 856 O GLY A 62 -10.861 -0.141 3.013 1.00 0.00 O ATOM 0 H GLY A 62 -10.260 2.695 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.608 2.063 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.094 2.723 3.328 1.00 0.00 H new ATOM 860 N ALA A 63 -12.392 0.719 1.607 1.00 0.00 N ATOM 861 CA ALA A 63 -13.105 -0.542 1.436 1.00 0.00 C ATOM 862 C ALA A 63 -12.988 -1.048 0.002 1.00 0.00 C ATOM 863 O ALA A 63 -13.360 -0.354 -0.944 1.00 0.00 O ATOM 864 CB ALA A 63 -14.567 -0.378 1.823 1.00 0.00 C ATOM 0 H ALA A 63 -12.785 1.500 1.082 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.648 -1.282 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.087 -1.327 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.635 -0.070 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.028 0.380 1.190 1.00 0.00 H new ATOM 870 N VAL A 64 -12.469 -2.262 -0.150 1.00 0.00 N ATOM 871 CA VAL A 64 -12.302 -2.863 -1.468 1.00 0.00 C ATOM 872 C VAL A 64 -13.146 -4.125 -1.606 1.00 0.00 C ATOM 873 O VAL A 64 -12.952 -5.097 -0.876 1.00 0.00 O ATOM 874 CB VAL A 64 -10.828 -3.212 -1.743 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.642 -3.648 -3.188 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.929 -2.029 -1.416 1.00 0.00 C ATOM 0 H VAL A 64 -12.157 -2.849 0.624 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.635 -2.125 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.545 -4.044 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.594 -3.890 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.255 -4.527 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.943 -2.839 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.891 -2.294 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.211 -1.176 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.040 -1.768 -0.364 1.00 0.00 H new ATOM 886 N GLY A 65 -14.084 -4.103 -2.548 1.00 0.00 N ATOM 887 CA GLY A 65 -14.944 -5.252 -2.764 1.00 0.00 C ATOM 888 C GLY A 65 -15.980 -5.414 -1.671 1.00 0.00 C ATOM 889 O GLY A 65 -16.877 -4.583 -1.530 1.00 0.00 O ATOM 0 H GLY A 65 -14.264 -3.311 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.448 -5.149 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.334 -6.154 -2.818 1.00 0.00 H new ATOM 893 N GLY A 66 -15.858 -6.486 -0.894 1.00 0.00 N ATOM 894 CA GLY A 66 -16.799 -6.735 0.182 1.00 0.00 C ATOM 895 C GLY A 66 -16.129 -6.765 1.542 1.00 0.00 C ATOM 896 O GLY A 66 -16.549 -7.505 2.432 1.00 0.00 O ATOM 0 H GLY A 66 -15.123 -7.187 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.567 -5.961 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.303 -7.686 0.007 1.00 0.00 H new ATOM 900 N VAL A 67 -15.084 -5.960 1.702 1.00 0.00 N ATOM 901 CA VAL A 67 -14.354 -5.897 2.963 1.00 0.00 C ATOM 902 C VAL A 67 -13.874 -4.480 3.252 1.00 0.00 C ATOM 903 O VAL A 67 -13.714 -3.670 2.338 1.00 0.00 O ATOM 904 CB VAL A 67 -13.141 -6.847 2.958 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.511 -6.918 4.340 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.549 -8.232 2.478 1.00 0.00 C ATOM 0 H VAL A 67 -14.724 -5.342 0.975 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.047 -6.208 3.744 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.397 -6.452 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.656 -7.594 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.179 -5.924 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.245 -7.287 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.679 -8.889 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.312 -8.637 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.948 -8.163 1.466 1.00 0.00 H new ATOM 916 N ARG A 68 -13.645 -4.186 4.527 1.00 0.00 N ATOM 917 CA ARG A 68 -13.182 -2.865 4.937 1.00 0.00 C ATOM 918 C ARG A 68 -11.810 -2.950 5.598 1.00 0.00 C ATOM 919 O ARG A 68 -11.474 -3.952 6.228 1.00 0.00 O ATOM 920 CB ARG A 68 -14.186 -2.225 5.899 1.00 0.00 C ATOM 921 CG ARG A 68 -14.415 -0.745 5.639 1.00 0.00 C ATOM 922 CD ARG A 68 -14.572 0.034 6.936 1.00 0.00 C ATOM 923 NE ARG A 68 -15.952 0.021 7.420 1.00 0.00 N ATOM 924 CZ ARG A 68 -16.417 -0.831 8.333 1.00 0.00 C ATOM 925 NH1 ARG A 68 -15.621 -1.747 8.872 1.00 0.00 N ATOM 926 NH2 ARG A 68 -17.687 -0.766 8.710 1.00 0.00 N ATOM 0 H ARG A 68 -13.772 -4.845 5.295 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.098 -2.244 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.138 -2.751 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.832 -2.356 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.577 -0.341 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.307 -0.616 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.917 -0.392 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.252 1.064 6.781 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.600 0.708 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.643 -1.803 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.988 -2.394 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.305 -0.065 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.046 -1.417 9.409 1.00 0.00 H new ATOM 940 N TYR A 69 -11.022 -1.890 5.450 1.00 0.00 N ATOM 941 CA TYR A 69 -9.686 -1.843 6.034 1.00 0.00 C ATOM 942 C TYR A 69 -9.558 -0.670 7.000 1.00 0.00 C ATOM 943 O TYR A 69 -9.393 -0.860 8.204 1.00 0.00 O ATOM 944 CB TYR A 69 -8.630 -1.729 4.933 1.00 0.00 C ATOM 945 CG TYR A 69 -8.666 -2.867 3.938 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.757 -3.045 3.096 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.609 -3.762 3.839 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.793 -4.083 2.184 1.00 0.00 C ATOM 949 CE2 TYR A 69 -7.636 -4.803 2.930 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.731 -4.959 2.105 1.00 0.00 C ATOM 951 OH TYR A 69 -8.763 -5.994 1.199 1.00 0.00 O ATOM 0 H TYR A 69 -11.285 -1.052 4.931 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.525 -2.768 6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.772 -0.788 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.642 -1.690 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.591 -2.361 3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.751 -3.643 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.648 -4.207 1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.805 -5.490 2.866 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.472 -5.832 0.542 1.00 0.00 H new ATOM 961 N PHE A 70 -9.635 0.543 6.463 1.00 0.00 N ATOM 962 CA PHE A 70 -9.528 1.748 7.276 1.00 0.00 C ATOM 963 C PHE A 70 -10.536 2.801 6.824 1.00 0.00 C ATOM 964 O PHE A 70 -10.717 3.028 5.628 1.00 0.00 O ATOM 965 CB PHE A 70 -8.111 2.317 7.199 1.00 0.00 C ATOM 966 CG PHE A 70 -7.631 2.541 5.793 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.052 1.510 5.073 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.760 3.784 5.193 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.610 1.713 3.779 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.320 3.993 3.900 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.743 2.956 3.192 1.00 0.00 C ATOM 0 H PHE A 70 -9.771 0.717 5.467 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.748 1.479 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.078 3.262 7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.426 1.636 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.944 0.536 5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.209 4.598 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.161 0.900 3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.427 4.966 3.443 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.397 3.117 2.182 1.00 0.00 H new ATOM 981 N GLU A 71 -11.190 3.439 7.789 1.00 0.00 N ATOM 982 CA GLU A 71 -12.180 4.468 7.488 1.00 0.00 C ATOM 983 C GLU A 71 -11.503 5.794 7.154 1.00 0.00 C ATOM 984 O GLU A 71 -11.075 6.526 8.046 1.00 0.00 O ATOM 985 CB GLU A 71 -13.130 4.652 8.672 1.00 0.00 C ATOM 986 CG GLU A 71 -14.070 3.477 8.888 1.00 0.00 C ATOM 987 CD GLU A 71 -15.438 3.706 8.275 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.516 3.875 7.041 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.432 3.716 9.032 1.00 0.00 O ATOM 0 H GLU A 71 -11.053 3.263 8.784 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.752 4.144 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.543 4.808 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.721 5.555 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.628 2.579 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.180 3.296 9.957 1.00 0.00 H new ATOM 996 N CYS A 72 -11.410 6.095 5.863 1.00 0.00 N ATOM 997 CA CYS A 72 -10.786 7.333 5.411 1.00 0.00 C ATOM 998 C CYS A 72 -11.561 7.938 4.242 1.00 0.00 C ATOM 999 O CYS A 72 -12.455 7.301 3.685 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.334 7.075 5.001 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.121 7.499 6.273 1.00 0.00 S ATOM 0 H CYS A 72 -11.758 5.499 5.112 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.801 8.043 6.238 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.222 6.022 4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.115 7.648 4.100 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.066 6.546 7.155 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.226 9.180 3.853 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.895 9.867 2.744 1.00 0.00 C ATOM 1009 C PRO A 73 -11.922 9.026 1.473 1.00 0.00 C ATOM 1010 O PRO A 73 -11.305 7.962 1.408 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.046 11.123 2.537 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.403 11.367 3.858 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.169 10.011 4.462 1.00 0.00 C ATOM 0 HA PRO A 73 -12.941 10.077 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.301 10.973 1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.660 11.971 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.465 11.909 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.044 11.974 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.174 9.632 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.252 10.035 5.549 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.642 9.507 0.465 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.749 8.799 -0.805 1.00 0.00 C ATOM 1023 C ALA A 74 -11.662 9.246 -1.777 1.00 0.00 C ATOM 1024 O ALA A 74 -11.173 10.373 -1.702 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.125 9.014 -1.413 1.00 0.00 C ATOM 0 H ALA A 74 -13.160 10.385 0.503 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.611 7.735 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.191 8.480 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.887 8.638 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.285 10.079 -1.584 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.289 8.355 -2.689 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.261 8.657 -3.677 1.00 0.00 C ATOM 1033 C LEU A 75 -8.931 8.970 -3.000 1.00 0.00 C ATOM 1034 O LEU A 75 -8.132 9.756 -3.512 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.693 9.837 -4.549 1.00 0.00 C ATOM 1036 CG LEU A 75 -12.047 9.670 -5.242 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.739 11.014 -5.394 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.871 9.001 -6.597 1.00 0.00 C ATOM 0 H LEU A 75 -11.684 7.417 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.129 7.778 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.727 10.733 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.931 10.005 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.676 9.031 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.700 10.874 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.898 11.455 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.116 11.678 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.843 8.890 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.225 9.615 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.418 8.019 -6.462 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.697 8.352 -1.848 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.463 8.565 -1.101 1.00 0.00 C ATOM 1052 C GLN A 76 -6.910 7.247 -0.573 1.00 0.00 C ATOM 1053 O GLN A 76 -5.714 6.975 -0.682 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.703 9.533 0.059 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.713 10.994 -0.359 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.897 11.935 0.815 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.923 12.606 0.934 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.901 11.989 1.691 1.00 0.00 N ATOM 0 H GLN A 76 -9.347 7.699 -1.410 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.729 8.999 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.656 9.292 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.928 9.384 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.777 11.230 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.515 11.157 -1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.069 11.415 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.968 12.604 2.502 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.788 6.436 0.000 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.375 5.153 0.538 1.00 0.00 C ATOM 1069 C GLY A 77 -6.883 4.203 -0.535 1.00 0.00 C ATOM 1070 O GLY A 77 -7.615 3.311 -0.967 1.00 0.00 O ATOM 0 H GLY A 77 -8.781 6.643 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.584 5.308 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.213 4.697 1.065 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.641 4.393 -0.969 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.055 3.546 -2.000 1.00 0.00 C ATOM 1076 C ILE A 78 -4.349 2.341 -1.383 1.00 0.00 C ATOM 1077 O ILE A 78 -3.937 2.377 -0.224 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.052 4.333 -2.868 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.527 3.457 -4.007 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.901 4.851 -2.017 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.004 4.248 -5.186 1.00 0.00 C ATOM 0 H ILE A 78 -5.022 5.126 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.873 3.198 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.569 5.188 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.730 2.819 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.327 2.799 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.203 5.404 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.290 5.510 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.384 4.011 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.648 3.562 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.804 4.866 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.182 4.886 -4.860 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.214 1.275 -2.167 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.559 0.060 -1.698 1.00 0.00 C ATOM 1095 C PHE A 79 -2.386 -0.310 -2.600 1.00 0.00 C ATOM 1096 O PHE A 79 -2.499 -0.279 -3.825 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.560 -1.095 -1.643 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.467 -1.048 -0.447 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -5.028 -1.495 0.789 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.758 -0.557 -0.558 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.860 -1.453 1.892 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.594 -0.512 0.541 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.144 -0.961 1.767 1.00 0.00 C ATOM 0 H PHE A 79 -4.550 1.229 -3.129 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.176 0.248 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.166 -1.083 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.014 -2.038 -1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.024 -1.881 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.115 -0.205 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.506 -1.804 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.598 -0.126 0.441 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.796 -0.927 2.627 1.00 0.00 H new ATOM 1113 N THR A 80 -1.261 -0.660 -1.985 1.00 0.00 N ATOM 1114 CA THR A 80 -0.067 -1.037 -2.732 1.00 0.00 C ATOM 1115 C THR A 80 0.810 -1.980 -1.913 1.00 0.00 C ATOM 1116 O THR A 80 0.477 -2.327 -0.781 1.00 0.00 O ATOM 1117 CB THR A 80 0.731 0.209 -3.122 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.915 -0.149 -3.811 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.128 1.061 -1.936 1.00 0.00 C ATOM 0 H THR A 80 -1.151 -0.690 -0.971 1.00 0.00 H new ATOM 0 HA THR A 80 -0.383 -1.556 -3.637 1.00 0.00 H new ATOM 0 HB THR A 80 0.065 0.791 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.410 0.661 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.691 1.928 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.232 1.396 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.747 0.474 -1.257 1.00 0.00 H new ATOM 1127 N ARG A 81 1.932 -2.391 -2.495 1.00 0.00 N ATOM 1128 CA ARG A 81 2.855 -3.295 -1.819 1.00 0.00 C ATOM 1129 C ARG A 81 3.782 -2.522 -0.880 1.00 0.00 C ATOM 1130 O ARG A 81 4.318 -1.477 -1.250 1.00 0.00 O ATOM 1131 CB ARG A 81 3.683 -4.073 -2.844 1.00 0.00 C ATOM 1132 CG ARG A 81 2.847 -4.725 -3.932 1.00 0.00 C ATOM 1133 CD ARG A 81 3.697 -5.596 -4.843 1.00 0.00 C ATOM 1134 NE ARG A 81 3.393 -5.371 -6.255 1.00 0.00 N ATOM 1135 CZ ARG A 81 3.709 -6.223 -7.227 1.00 0.00 C ATOM 1136 NH1 ARG A 81 4.339 -7.358 -6.946 1.00 0.00 N ATOM 1137 NH2 ARG A 81 3.396 -5.941 -8.484 1.00 0.00 N ATOM 0 H ARG A 81 2.224 -2.113 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 81 2.269 -3.998 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.402 -3.397 -3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.256 -4.843 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.063 -5.330 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.352 -3.954 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.752 -5.389 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.532 -6.645 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 81 2.910 -4.510 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.583 -7.580 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.579 -8.007 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.913 -5.071 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.638 -6.594 -9.229 1.00 0.00 H new ATOM 1151 N PRO A 82 3.988 -3.026 0.351 1.00 0.00 N ATOM 1152 CA PRO A 82 4.856 -2.371 1.335 1.00 0.00 C ATOM 1153 C PRO A 82 6.255 -2.110 0.788 1.00 0.00 C ATOM 1154 O PRO A 82 6.810 -1.025 0.965 1.00 0.00 O ATOM 1155 CB PRO A 82 4.916 -3.376 2.488 1.00 0.00 C ATOM 1156 CG PRO A 82 3.675 -4.186 2.354 1.00 0.00 C ATOM 1157 CD PRO A 82 3.392 -4.267 0.881 1.00 0.00 C ATOM 0 HA PRO A 82 4.473 -1.393 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.806 -4.002 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.955 -2.869 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.810 -5.180 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.845 -3.720 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.843 -5.153 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.322 -4.317 0.679 1.00 0.00 H new ATOM 1165 N SER A 83 6.822 -3.112 0.122 1.00 0.00 N ATOM 1166 CA SER A 83 8.158 -2.991 -0.450 1.00 0.00 C ATOM 1167 C SER A 83 8.226 -1.833 -1.442 1.00 0.00 C ATOM 1168 O SER A 83 9.268 -1.199 -1.600 1.00 0.00 O ATOM 1169 CB SER A 83 8.558 -4.297 -1.141 1.00 0.00 C ATOM 1170 OG SER A 83 9.883 -4.667 -0.804 1.00 0.00 O ATOM 0 H SER A 83 6.377 -4.016 -0.034 1.00 0.00 H new ATOM 0 HA SER A 83 8.857 -2.788 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.870 -5.091 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.473 -4.181 -2.222 1.00 0.00 H new ATOM 0 HG SER A 83 10.114 -5.505 -1.257 1.00 0.00 H new ATOM 1176 N LYS A 84 7.107 -1.564 -2.107 1.00 0.00 N ATOM 1177 CA LYS A 84 7.041 -0.483 -3.083 1.00 0.00 C ATOM 1178 C LYS A 84 7.098 0.878 -2.394 1.00 0.00 C ATOM 1179 O LYS A 84 7.613 1.846 -2.953 1.00 0.00 O ATOM 1180 CB LYS A 84 5.758 -0.593 -3.912 1.00 0.00 C ATOM 1181 CG LYS A 84 5.711 -1.828 -4.798 1.00 0.00 C ATOM 1182 CD LYS A 84 6.442 -1.598 -6.111 1.00 0.00 C ATOM 1183 CE LYS A 84 7.835 -2.206 -6.087 1.00 0.00 C ATOM 1184 NZ LYS A 84 7.793 -3.685 -5.930 1.00 0.00 N ATOM 0 H LYS A 84 6.235 -2.079 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 84 7.903 -0.572 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.900 -0.606 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.661 0.296 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.160 -2.671 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.673 -2.094 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.868 -2.033 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.514 -0.528 -6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.357 -1.954 -7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.407 -1.770 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.626 -4.106 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.794 -3.927 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.929 -4.057 -6.374 1.00 0.00 H new ATOM 1198 N LEU A 85 6.566 0.943 -1.178 1.00 0.00 N ATOM 1199 CA LEU A 85 6.556 2.185 -0.413 1.00 0.00 C ATOM 1200 C LEU A 85 7.971 2.589 -0.010 1.00 0.00 C ATOM 1201 O LEU A 85 8.831 1.737 0.210 1.00 0.00 O ATOM 1202 CB LEU A 85 5.682 2.033 0.833 1.00 0.00 C ATOM 1203 CG LEU A 85 4.270 1.503 0.574 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.586 1.146 1.885 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.450 2.529 -0.196 1.00 0.00 C ATOM 0 H LEU A 85 6.136 0.150 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 85 6.141 2.969 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.183 1.361 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.605 3.003 1.324 1.00 0.00 H new ATOM 0 HG LEU A 85 4.345 0.599 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.583 0.771 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.163 0.378 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.521 2.033 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.448 2.136 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.382 3.450 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.931 2.736 -1.152 1.00 0.00 H new ATOM 1217 N THR A 86 8.204 3.895 0.084 1.00 0.00 N ATOM 1218 CA THR A 86 9.515 4.412 0.462 1.00 0.00 C ATOM 1219 C THR A 86 9.386 5.472 1.551 1.00 0.00 C ATOM 1220 O THR A 86 8.294 5.973 1.818 1.00 0.00 O ATOM 1221 CB THR A 86 10.224 5.001 -0.759 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.448 6.033 -1.340 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.509 3.978 -1.836 1.00 0.00 C ATOM 0 H THR A 86 7.503 4.614 -0.096 1.00 0.00 H new ATOM 0 HA THR A 86 10.107 3.585 0.853 1.00 0.00 H new ATOM 0 HB THR A 86 11.173 5.384 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.572 5.678 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.013 4.462 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.148 3.193 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.572 3.541 -2.180 1.00 0.00 H new ATOM 1231 N ARG A 87 10.509 5.810 2.177 1.00 0.00 N ATOM 1232 CA ARG A 87 10.522 6.812 3.238 1.00 0.00 C ATOM 1233 C ARG A 87 11.135 8.120 2.746 1.00 0.00 C ATOM 1234 O ARG A 87 11.701 8.884 3.530 1.00 0.00 O ATOM 1235 CB ARG A 87 11.299 6.290 4.450 1.00 0.00 C ATOM 1236 CG ARG A 87 10.559 6.464 5.767 1.00 0.00 C ATOM 1237 CD ARG A 87 11.239 7.486 6.664 1.00 0.00 C ATOM 1238 NE ARG A 87 11.247 7.068 8.064 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.965 7.666 9.013 1.00 0.00 C ATOM 1240 NH1 ARG A 87 12.732 8.707 8.717 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.915 7.220 10.260 1.00 0.00 N ATOM 0 H ARG A 87 11.422 5.405 1.968 1.00 0.00 H new ATOM 0 HA ARG A 87 9.491 7.007 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.518 5.232 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.256 6.809 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.534 6.778 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.505 5.506 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.264 7.640 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.727 8.444 6.575 1.00 0.00 H new ATOM 0 HE ARG A 87 10.669 6.271 8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.774 9.053 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.280 9.161 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.327 6.419 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.465 7.677 10.988 1.00 0.00 H new ATOM 1255 N GLN A 88 11.020 8.374 1.446 1.00 0.00 N ATOM 1256 CA GLN A 88 11.564 9.592 0.853 1.00 0.00 C ATOM 1257 C GLN A 88 11.287 9.634 -0.649 1.00 0.00 C ATOM 1258 O GLN A 88 11.252 8.596 -1.310 1.00 0.00 O ATOM 1259 CB GLN A 88 13.071 9.684 1.112 1.00 0.00 C ATOM 1260 CG GLN A 88 13.460 10.832 2.028 1.00 0.00 C ATOM 1261 CD GLN A 88 14.961 10.952 2.207 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.539 12.020 2.004 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.601 9.852 2.590 1.00 0.00 N ATOM 0 H GLN A 88 10.555 7.753 0.783 1.00 0.00 H new ATOM 0 HA GLN A 88 11.073 10.446 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.414 8.747 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.589 9.798 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.071 11.765 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.992 10.690 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.082 8.988 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.612 9.872 2.727 1.00 0.00 H new ATOM 1272 N PRO A 89 11.088 10.840 -1.209 1.00 0.00 N ATOM 1273 CA PRO A 89 10.815 11.010 -2.640 1.00 0.00 C ATOM 1274 C PRO A 89 11.866 10.333 -3.513 1.00 0.00 C ATOM 1275 O PRO A 89 13.059 10.611 -3.393 1.00 0.00 O ATOM 1276 CB PRO A 89 10.856 12.528 -2.836 1.00 0.00 C ATOM 1277 CG PRO A 89 10.538 13.092 -1.495 1.00 0.00 C ATOM 1278 CD PRO A 89 11.113 12.129 -0.494 1.00 0.00 C ATOM 0 HA PRO A 89 9.867 10.557 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.836 12.856 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.131 12.850 -3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.973 14.084 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.461 13.197 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.126 12.408 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.518 12.094 0.418 1.00 0.00 H new