USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 84 SER OG : rot -106:sc= 1.08 USER MOD Set 1.2: A 414 THR OG1 : rot 96:sc= 0.217 USER MOD Set 1.3: A 415 SER OG : rot 127:sc= 1.34 USER MOD Set 2.1: A 115 CYS SG : rot 132:sc= -0.34 USER MOD Set 2.2: A 118 CYS SG : rot 122:sc= 0.358 USER MOD Set 2.3: A 137 CYS SG : rot -87:sc= -3.39! USER MOD Set 3.1: A 106 ASN : amide:sc= 1.09 K(o=2,f=1) USER MOD Set 3.2: A 108 TYR OH : rot 0:sc= 0.936 USER MOD Set 4.1: A 87 CYS SG : rot 136:sc= 1.71 USER MOD Set 4.2: A 90 CYS SG : rot 134:sc= 0.787 USER MOD Set 4.3: A 109 HIS : no HD1:sc= -2.62! X(o=-5.7!,f=-5.8) USER MOD Set 4.4: A 111 LYS NZ :NH3+ -154:sc= 0.923 (180deg=0) USER MOD Set 4.5: A 112 CYS SG : rot -112:sc= -6.55! USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -139:sc= 0.853 USER MOD Single : A 92 GLN : amide:sc= -0.785 K(o=-0.78,f=-1.8!) USER MOD Single : A 93 SER OG : rot 70:sc= 0.535 USER MOD Single : A 97 SER OG : rot 180:sc= 0.145 USER MOD Single : A 101 MET CE :methyl 173:sc= 0 (180deg=-0.138) USER MOD Single : A 104 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0092) USER MOD Single : A 114 THR OG1 : rot -102:sc= 0.05 USER MOD Single : A 116 SER OG : rot 180:sc= 0.157 USER MOD Single : A 117 THR OG1 : rot 156:sc= 1.31 USER MOD Single : A 120 ASN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.4!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.9!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-0.95) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -16.831 6.924 -3.573 1.00 0.00 N ATOM 62 CA ARG A 79 -16.187 5.788 -4.213 1.00 0.00 C ATOM 63 C ARG A 79 -16.377 4.573 -3.317 1.00 0.00 C ATOM 64 O ARG A 79 -15.765 3.525 -3.506 1.00 0.00 O ATOM 65 CB ARG A 79 -14.698 6.063 -4.432 1.00 0.00 C ATOM 66 CG ARG A 79 -14.121 5.360 -5.650 1.00 0.00 C ATOM 67 CD ARG A 79 -13.175 6.269 -6.416 1.00 0.00 C ATOM 68 NE ARG A 79 -11.804 6.189 -5.910 1.00 0.00 N ATOM 69 CZ ARG A 79 -11.079 7.249 -5.552 1.00 0.00 C ATOM 70 NH1 ARG A 79 -11.604 8.466 -5.606 1.00 0.00 N ATOM 71 NH2 ARG A 79 -9.827 7.088 -5.141 1.00 0.00 N ATOM 0 HA ARG A 79 -16.635 5.609 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.547 7.137 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.145 5.749 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.590 4.461 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.931 5.040 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.188 5.998 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.527 7.298 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.377 5.266 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.565 8.593 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.046 9.275 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.420 6.154 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.272 7.899 -4.867 1.00 0.00 H new ATOM 85 N LEU A 80 -17.262 4.738 -2.345 1.00 0.00 N ATOM 86 CA LEU A 80 -17.469 3.749 -1.308 1.00 0.00 C ATOM 87 C LEU A 80 -18.774 3.001 -1.532 1.00 0.00 C ATOM 88 O LEU A 80 -19.850 3.598 -1.511 1.00 0.00 O ATOM 89 CB LEU A 80 -17.493 4.435 0.062 1.00 0.00 C ATOM 90 CG LEU A 80 -16.189 4.372 0.862 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.776 2.927 1.086 1.00 0.00 C ATOM 92 CD2 LEU A 80 -15.084 5.155 0.161 1.00 0.00 C ATOM 0 H LEU A 80 -17.855 5.563 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 80 -16.649 3.032 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -17.759 5.482 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -18.286 3.984 0.659 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.358 4.834 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.847 2.898 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.558 2.407 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.626 2.438 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.167 5.096 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.909 4.732 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.384 6.198 0.061 1.00 0.00 H new ATOM 104 N PHE A 81 -18.671 1.699 -1.748 1.00 0.00 N ATOM 105 CA PHE A 81 -19.841 0.855 -1.955 1.00 0.00 C ATOM 106 C PHE A 81 -20.631 0.700 -0.658 1.00 0.00 C ATOM 107 O PHE A 81 -21.846 0.881 -0.635 1.00 0.00 O ATOM 108 CB PHE A 81 -19.410 -0.520 -2.479 1.00 0.00 C ATOM 109 CG PHE A 81 -19.436 -0.626 -3.977 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.541 0.096 -4.753 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.350 -1.454 -4.609 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.560 -0.001 -6.130 1.00 0.00 C ATOM 113 CE2 PHE A 81 -20.373 -1.556 -5.987 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.477 -0.830 -6.747 1.00 0.00 C ATOM 0 H PHE A 81 -17.783 1.199 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 81 -20.485 1.332 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.402 -0.735 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.065 -1.282 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.820 0.742 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -21.051 -2.025 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.860 0.569 -6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -21.091 -2.203 -6.469 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.493 -0.910 -7.824 1.00 0.00 H new ATOM 124 N GLY A 82 -19.931 0.378 0.424 1.00 0.00 N ATOM 125 CA GLY A 82 -20.585 0.241 1.715 1.00 0.00 C ATOM 126 C GLY A 82 -20.348 1.442 2.607 1.00 0.00 C ATOM 127 O GLY A 82 -21.013 1.609 3.631 1.00 0.00 O ATOM 0 H GLY A 82 -18.925 0.209 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.656 0.108 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.218 -0.657 2.213 1.00 0.00 H new ATOM 131 N ASN A 83 -19.396 2.281 2.203 1.00 0.00 N ATOM 132 CA ASN A 83 -19.031 3.486 2.953 1.00 0.00 C ATOM 133 C ASN A 83 -18.369 3.131 4.282 1.00 0.00 C ATOM 134 O ASN A 83 -18.575 3.799 5.291 1.00 0.00 O ATOM 135 CB ASN A 83 -20.249 4.390 3.188 1.00 0.00 C ATOM 136 CG ASN A 83 -19.942 5.849 2.913 1.00 0.00 C ATOM 137 OD1 ASN A 83 -19.935 6.283 1.763 1.00 0.00 O ATOM 138 ND2 ASN A 83 -19.678 6.614 3.960 1.00 0.00 N ATOM 0 H ASN A 83 -18.856 2.147 1.348 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.311 4.037 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -21.069 4.066 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -20.588 4.280 4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -19.459 7.601 3.828 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.694 6.216 4.899 1.00 0.00 H new ATOM 145 N SER A 84 -17.562 2.078 4.268 1.00 0.00 N ATOM 146 CA SER A 84 -16.855 1.642 5.464 1.00 0.00 C ATOM 147 C SER A 84 -15.340 1.769 5.277 1.00 0.00 C ATOM 148 O SER A 84 -14.698 2.633 5.878 1.00 0.00 O ATOM 149 CB SER A 84 -17.237 0.198 5.786 1.00 0.00 C ATOM 150 OG SER A 84 -18.158 -0.296 4.828 1.00 0.00 O ATOM 0 H SER A 84 -17.381 1.510 3.440 1.00 0.00 H new ATOM 0 HA SER A 84 -17.143 2.282 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.344 -0.427 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.676 0.145 6.782 1.00 0.00 H new ATOM 0 HG SER A 84 -19.051 -0.349 5.229 1.00 0.00 H new ATOM 156 N GLY A 85 -14.780 0.917 4.421 1.00 0.00 N ATOM 157 CA GLY A 85 -13.347 0.933 4.179 1.00 0.00 C ATOM 158 C GLY A 85 -13.021 0.878 2.703 1.00 0.00 C ATOM 159 O GLY A 85 -13.708 0.194 1.941 1.00 0.00 O ATOM 0 H GLY A 85 -15.295 0.215 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.916 1.836 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.884 0.085 4.684 1.00 0.00 H new ATOM 163 N ALA A 86 -11.978 1.586 2.297 1.00 0.00 N ATOM 164 CA ALA A 86 -11.599 1.659 0.893 1.00 0.00 C ATOM 165 C ALA A 86 -10.088 1.802 0.750 1.00 0.00 C ATOM 166 O ALA A 86 -9.384 2.012 1.739 1.00 0.00 O ATOM 167 CB ALA A 86 -12.301 2.829 0.221 1.00 0.00 C ATOM 0 H ALA A 86 -11.376 2.121 2.923 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.906 0.734 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -12.010 2.874 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.380 2.696 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.016 3.757 0.716 1.00 0.00 H new ATOM 173 N CYS A 87 -9.602 1.688 -0.481 1.00 0.00 N ATOM 174 CA CYS A 87 -8.181 1.821 -0.765 1.00 0.00 C ATOM 175 C CYS A 87 -7.758 3.280 -0.702 1.00 0.00 C ATOM 176 O CYS A 87 -8.522 4.175 -1.064 1.00 0.00 O ATOM 177 CB CYS A 87 -7.873 1.253 -2.148 1.00 0.00 C ATOM 178 SG CYS A 87 -6.111 1.297 -2.623 1.00 0.00 S ATOM 0 H CYS A 87 -10.177 1.502 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.623 1.263 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.219 0.220 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.448 1.808 -2.889 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.781 0.166 -3.172 1.00 0.00 H new ATOM 183 N SER A 88 -6.538 3.509 -0.247 1.00 0.00 N ATOM 184 CA SER A 88 -5.983 4.848 -0.199 1.00 0.00 C ATOM 185 C SER A 88 -5.452 5.254 -1.575 1.00 0.00 C ATOM 186 O SER A 88 -5.119 6.415 -1.806 1.00 0.00 O ATOM 187 CB SER A 88 -4.876 4.920 0.861 1.00 0.00 C ATOM 188 OG SER A 88 -5.286 4.272 2.057 1.00 0.00 O ATOM 0 H SER A 88 -5.912 2.780 0.096 1.00 0.00 H new ATOM 0 HA SER A 88 -6.770 5.549 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.969 4.451 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.633 5.962 1.070 1.00 0.00 H new ATOM 0 HG SER A 88 -4.995 4.799 2.831 1.00 0.00 H new ATOM 194 N ALA A 89 -5.398 4.291 -2.494 1.00 0.00 N ATOM 195 CA ALA A 89 -4.924 4.548 -3.847 1.00 0.00 C ATOM 196 C ALA A 89 -6.056 4.379 -4.860 1.00 0.00 C ATOM 197 O ALA A 89 -6.391 5.315 -5.591 1.00 0.00 O ATOM 198 CB ALA A 89 -3.750 3.639 -4.184 1.00 0.00 C ATOM 0 H ALA A 89 -5.678 3.325 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.579 5.581 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.410 3.845 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.935 3.822 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.064 2.598 -4.111 1.00 0.00 H new ATOM 204 N CYS A 90 -6.658 3.191 -4.890 1.00 0.00 N ATOM 205 CA CYS A 90 -7.770 2.925 -5.796 1.00 0.00 C ATOM 206 C CYS A 90 -9.011 3.680 -5.333 1.00 0.00 C ATOM 207 O CYS A 90 -9.730 4.285 -6.129 1.00 0.00 O ATOM 208 CB CYS A 90 -8.082 1.423 -5.851 1.00 0.00 C ATOM 209 SG CYS A 90 -6.647 0.354 -6.204 1.00 0.00 S ATOM 0 H CYS A 90 -6.395 2.402 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.484 3.262 -6.792 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.516 1.122 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.841 1.252 -6.615 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.643 -0.653 -5.381 1.00 0.00 H new ATOM 214 N GLY A 91 -9.243 3.649 -4.031 1.00 0.00 N ATOM 215 CA GLY A 91 -10.427 4.264 -3.468 1.00 0.00 C ATOM 216 C GLY A 91 -11.597 3.316 -3.468 1.00 0.00 C ATOM 217 O GLY A 91 -12.693 3.665 -3.038 1.00 0.00 O ATOM 0 H GLY A 91 -8.628 3.206 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.220 4.587 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.681 5.157 -4.040 1.00 0.00 H new ATOM 221 N GLN A 92 -11.363 2.109 -3.961 1.00 0.00 N ATOM 222 CA GLN A 92 -12.404 1.101 -4.021 1.00 0.00 C ATOM 223 C GLN A 92 -12.625 0.497 -2.644 1.00 0.00 C ATOM 224 O GLN A 92 -11.665 0.146 -1.954 1.00 0.00 O ATOM 225 CB GLN A 92 -12.032 -0.004 -5.013 1.00 0.00 C ATOM 226 CG GLN A 92 -13.098 -0.299 -6.067 1.00 0.00 C ATOM 227 CD GLN A 92 -14.511 0.019 -5.607 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.975 1.151 -5.725 1.00 0.00 O ATOM 229 NE2 GLN A 92 -15.213 -0.980 -5.090 1.00 0.00 N ATOM 0 H GLN A 92 -10.460 1.806 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.323 1.579 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.108 0.276 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.827 -0.919 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.879 0.278 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.043 -1.352 -6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.796 -1.907 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.170 -0.821 -4.775 1.00 0.00 H new ATOM 238 N SER A 93 -13.883 0.403 -2.245 1.00 0.00 N ATOM 239 CA SER A 93 -14.256 -0.232 -0.990 1.00 0.00 C ATOM 240 C SER A 93 -13.765 -1.678 -0.946 1.00 0.00 C ATOM 241 O SER A 93 -14.090 -2.475 -1.824 1.00 0.00 O ATOM 242 CB SER A 93 -15.773 -0.184 -0.843 1.00 0.00 C ATOM 243 OG SER A 93 -16.363 0.329 -2.024 1.00 0.00 O ATOM 0 H SER A 93 -14.673 0.764 -2.780 1.00 0.00 H new ATOM 0 HA SER A 93 -13.789 0.304 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.158 -1.183 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.044 0.441 0.008 1.00 0.00 H new ATOM 0 HG SER A 93 -16.268 -0.325 -2.748 1.00 0.00 H new ATOM 249 N ILE A 94 -12.983 -1.998 0.074 1.00 0.00 N ATOM 250 CA ILE A 94 -12.381 -3.316 0.197 1.00 0.00 C ATOM 251 C ILE A 94 -13.383 -4.334 0.733 1.00 0.00 C ATOM 252 O ILE A 94 -13.900 -4.191 1.845 1.00 0.00 O ATOM 253 CB ILE A 94 -11.135 -3.276 1.109 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.050 -2.405 0.476 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.605 -4.680 1.368 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.294 -1.556 1.472 1.00 0.00 C ATOM 0 H ILE A 94 -12.750 -1.358 0.833 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.073 -3.625 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.423 -2.842 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.344 -3.046 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.508 -1.754 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.728 -4.625 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.376 -5.276 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.331 -5.146 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.541 -0.966 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.988 -0.889 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.806 -2.201 2.203 1.00 0.00 H new ATOM 268 N PRO A 95 -13.700 -5.359 -0.075 1.00 0.00 N ATOM 269 CA PRO A 95 -14.541 -6.473 0.345 1.00 0.00 C ATOM 270 C PRO A 95 -13.762 -7.459 1.211 1.00 0.00 C ATOM 271 O PRO A 95 -12.536 -7.510 1.153 1.00 0.00 O ATOM 272 CB PRO A 95 -14.956 -7.145 -0.975 1.00 0.00 C ATOM 273 CG PRO A 95 -14.422 -6.273 -2.067 1.00 0.00 C ATOM 274 CD PRO A 95 -13.279 -5.507 -1.470 1.00 0.00 C ATOM 0 HA PRO A 95 -15.389 -6.143 0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.547 -8.153 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.040 -7.236 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.089 -6.871 -2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.193 -5.597 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.337 -6.049 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.137 -4.542 -1.957 1.00 0.00 H new ATOM 282 N ALA A 96 -14.477 -8.255 1.996 1.00 0.00 N ATOM 283 CA ALA A 96 -13.841 -9.244 2.862 1.00 0.00 C ATOM 284 C ALA A 96 -13.159 -10.332 2.040 1.00 0.00 C ATOM 285 O ALA A 96 -12.254 -11.016 2.514 1.00 0.00 O ATOM 286 CB ALA A 96 -14.865 -9.865 3.795 1.00 0.00 C ATOM 0 H ALA A 96 -15.495 -8.237 2.052 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.082 -8.734 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.376 -10.600 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.313 -9.087 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.642 -10.354 3.208 1.00 0.00 H new ATOM 292 N SER A 97 -13.606 -10.474 0.802 1.00 0.00 N ATOM 293 CA SER A 97 -13.075 -11.473 -0.108 1.00 0.00 C ATOM 294 C SER A 97 -11.781 -10.996 -0.772 1.00 0.00 C ATOM 295 O SER A 97 -11.213 -11.695 -1.616 1.00 0.00 O ATOM 296 CB SER A 97 -14.126 -11.771 -1.172 1.00 0.00 C ATOM 297 OG SER A 97 -15.298 -10.994 -0.950 1.00 0.00 O ATOM 0 H SER A 97 -14.347 -9.899 0.401 1.00 0.00 H new ATOM 0 HA SER A 97 -12.840 -12.375 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.722 -11.555 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.378 -12.831 -1.155 1.00 0.00 H new ATOM 0 HG SER A 97 -15.961 -11.197 -1.643 1.00 0.00 H new ATOM 303 N GLU A 98 -11.323 -9.808 -0.397 1.00 0.00 N ATOM 304 CA GLU A 98 -10.118 -9.240 -0.979 1.00 0.00 C ATOM 305 C GLU A 98 -8.969 -9.265 0.019 1.00 0.00 C ATOM 306 O GLU A 98 -9.180 -9.349 1.229 1.00 0.00 O ATOM 307 CB GLU A 98 -10.371 -7.801 -1.443 1.00 0.00 C ATOM 308 CG GLU A 98 -10.059 -7.560 -2.913 1.00 0.00 C ATOM 309 CD GLU A 98 -9.308 -8.715 -3.555 1.00 0.00 C ATOM 310 OE1 GLU A 98 -8.111 -8.899 -3.253 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.915 -9.450 -4.363 1.00 0.00 O ATOM 0 H GLU A 98 -11.769 -9.221 0.308 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.844 -9.848 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.415 -7.549 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.768 -7.124 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.990 -7.393 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.467 -6.650 -3.009 1.00 0.00 H new ATOM 318 N LEU A 99 -7.757 -9.182 -0.502 1.00 0.00 N ATOM 319 CA LEU A 99 -6.565 -9.176 0.322 1.00 0.00 C ATOM 320 C LEU A 99 -5.777 -7.902 0.068 1.00 0.00 C ATOM 321 O LEU A 99 -5.424 -7.596 -1.069 1.00 0.00 O ATOM 322 CB LEU A 99 -5.707 -10.404 0.021 1.00 0.00 C ATOM 323 CG LEU A 99 -6.236 -11.714 0.607 1.00 0.00 C ATOM 324 CD1 LEU A 99 -6.253 -12.804 -0.451 1.00 0.00 C ATOM 325 CD2 LEU A 99 -5.397 -12.150 1.797 1.00 0.00 C ATOM 0 H LEU A 99 -7.574 -9.117 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.855 -9.211 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.621 -10.514 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.702 -10.230 0.404 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.257 -11.544 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.632 -13.728 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.898 -12.500 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.241 -12.967 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.791 -13.084 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.365 -12.299 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.432 -11.381 2.568 1.00 0.00 H new ATOM 337 N VAL A 100 -5.504 -7.164 1.125 1.00 0.00 N ATOM 338 CA VAL A 100 -4.876 -5.861 1.001 1.00 0.00 C ATOM 339 C VAL A 100 -3.589 -5.793 1.810 1.00 0.00 C ATOM 340 O VAL A 100 -3.299 -6.682 2.606 1.00 0.00 O ATOM 341 CB VAL A 100 -5.827 -4.739 1.462 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.003 -4.607 0.508 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.309 -4.990 2.880 1.00 0.00 C ATOM 0 H VAL A 100 -5.708 -7.445 2.084 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.641 -5.717 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.275 -3.799 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.662 -3.810 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.636 -4.370 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.555 -5.547 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.979 -4.186 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.841 -5.940 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.453 -5.024 3.554 1.00 0.00 H new ATOM 353 N MET A 101 -2.824 -4.738 1.605 1.00 0.00 N ATOM 354 CA MET A 101 -1.582 -4.544 2.332 1.00 0.00 C ATOM 355 C MET A 101 -1.680 -3.300 3.205 1.00 0.00 C ATOM 356 O MET A 101 -1.765 -2.172 2.706 1.00 0.00 O ATOM 357 CB MET A 101 -0.399 -4.421 1.366 1.00 0.00 C ATOM 358 CG MET A 101 0.001 -5.740 0.720 1.00 0.00 C ATOM 359 SD MET A 101 1.740 -6.152 0.983 1.00 0.00 S ATOM 360 CE MET A 101 2.209 -6.677 -0.665 1.00 0.00 C ATOM 0 H MET A 101 -3.042 -3.998 0.938 1.00 0.00 H new ATOM 0 HA MET A 101 -1.414 -5.414 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.652 -3.705 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.458 -4.015 1.904 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.621 -6.539 1.122 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.197 -5.689 -0.351 1.00 0.00 H new ATOM 0 HE1 MET A 101 3.285 -6.846 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.688 -7.601 -0.915 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.940 -5.903 -1.384 1.00 0.00 H new ATOM 370 N ARG A 102 -1.686 -3.508 4.511 1.00 0.00 N ATOM 371 CA ARG A 102 -1.772 -2.401 5.450 1.00 0.00 C ATOM 372 C ARG A 102 -0.384 -2.000 5.919 1.00 0.00 C ATOM 373 O ARG A 102 0.183 -2.621 6.818 1.00 0.00 O ATOM 374 CB ARG A 102 -2.644 -2.780 6.648 1.00 0.00 C ATOM 375 CG ARG A 102 -3.061 -1.593 7.503 1.00 0.00 C ATOM 376 CD ARG A 102 -4.558 -1.588 7.745 1.00 0.00 C ATOM 377 NE ARG A 102 -5.108 -0.232 7.768 1.00 0.00 N ATOM 378 CZ ARG A 102 -6.266 0.089 8.348 1.00 0.00 C ATOM 379 NH1 ARG A 102 -6.971 -0.829 8.993 1.00 0.00 N ATOM 380 NH2 ARG A 102 -6.713 1.340 8.303 1.00 0.00 N ATOM 0 H ARG A 102 -1.633 -4.430 4.945 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.231 -1.553 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.538 -3.289 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.101 -3.491 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.536 -1.627 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.767 -0.666 7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.053 -2.166 6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.773 -2.082 8.692 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.575 0.510 7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.629 -1.788 9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.855 -0.576 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.170 2.059 7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.599 1.581 8.748 1.00 0.00 H new ATOM 394 N ALA A 103 0.162 -0.963 5.301 1.00 0.00 N ATOM 395 CA ALA A 103 1.475 -0.469 5.675 1.00 0.00 C ATOM 396 C ALA A 103 1.403 0.293 6.989 1.00 0.00 C ATOM 397 O ALA A 103 2.228 0.096 7.879 1.00 0.00 O ATOM 398 CB ALA A 103 2.051 0.417 4.581 1.00 0.00 C ATOM 0 H ALA A 103 -0.284 -0.450 4.541 1.00 0.00 H new ATOM 0 HA ALA A 103 2.136 -1.326 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.035 0.775 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.141 -0.156 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.390 1.268 4.416 1.00 0.00 H new ATOM 404 N GLN A 104 0.402 1.153 7.100 1.00 0.00 N ATOM 405 CA GLN A 104 0.195 1.959 8.294 1.00 0.00 C ATOM 406 C GLN A 104 -1.237 2.473 8.298 1.00 0.00 C ATOM 407 O GLN A 104 -2.179 1.698 8.112 1.00 0.00 O ATOM 408 CB GLN A 104 1.190 3.126 8.333 1.00 0.00 C ATOM 409 CG GLN A 104 2.019 3.170 9.602 1.00 0.00 C ATOM 410 CD GLN A 104 3.507 3.140 9.328 1.00 0.00 C ATOM 411 OE1 GLN A 104 4.220 4.108 9.590 1.00 0.00 O ATOM 412 NE2 GLN A 104 3.986 2.026 8.801 1.00 0.00 N ATOM 0 H GLN A 104 -0.289 1.312 6.366 1.00 0.00 H new ATOM 0 HA GLN A 104 0.363 1.349 9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.858 3.053 7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.643 4.063 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.774 4.074 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.753 2.323 10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.360 1.247 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.982 1.946 8.596 1.00 0.00 H new ATOM 421 N GLY A 105 -1.401 3.778 8.489 1.00 0.00 N ATOM 422 CA GLY A 105 -2.712 4.387 8.362 1.00 0.00 C ATOM 423 C GLY A 105 -3.210 4.320 6.934 1.00 0.00 C ATOM 424 O GLY A 105 -4.415 4.377 6.673 1.00 0.00 O ATOM 0 H GLY A 105 -0.650 4.424 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.417 3.879 9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.666 5.427 8.686 1.00 0.00 H new ATOM 428 N ASN A 106 -2.269 4.180 6.011 1.00 0.00 N ATOM 429 CA ASN A 106 -2.585 4.049 4.600 1.00 0.00 C ATOM 430 C ASN A 106 -2.785 2.577 4.253 1.00 0.00 C ATOM 431 O ASN A 106 -2.011 1.713 4.681 1.00 0.00 O ATOM 432 CB ASN A 106 -1.460 4.642 3.741 1.00 0.00 C ATOM 433 CG ASN A 106 -1.651 6.117 3.440 1.00 0.00 C ATOM 434 OD1 ASN A 106 -2.369 6.822 4.145 1.00 0.00 O ATOM 435 ND2 ASN A 106 -1.004 6.597 2.388 1.00 0.00 N ATOM 0 H ASN A 106 -1.271 4.154 6.220 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.504 4.597 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.508 4.503 4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.400 4.091 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.093 7.582 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.417 5.981 1.826 1.00 0.00 H new ATOM 442 N VAL A 107 -3.828 2.296 3.494 1.00 0.00 N ATOM 443 CA VAL A 107 -4.165 0.928 3.134 1.00 0.00 C ATOM 444 C VAL A 107 -4.215 0.773 1.616 1.00 0.00 C ATOM 445 O VAL A 107 -4.861 1.559 0.920 1.00 0.00 O ATOM 446 CB VAL A 107 -5.511 0.491 3.769 1.00 0.00 C ATOM 447 CG1 VAL A 107 -6.601 1.527 3.526 1.00 0.00 C ATOM 448 CG2 VAL A 107 -5.937 -0.880 3.261 1.00 0.00 C ATOM 0 H VAL A 107 -4.460 3.000 3.112 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.384 0.277 3.528 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.359 0.418 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.531 1.191 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.303 2.479 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.749 1.654 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.884 -1.161 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.057 -0.846 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.175 -1.616 3.518 1.00 0.00 H new ATOM 458 N TYR A 108 -3.498 -0.221 1.109 1.00 0.00 N ATOM 459 CA TYR A 108 -3.448 -0.469 -0.324 1.00 0.00 C ATOM 460 C TYR A 108 -3.840 -1.911 -0.621 1.00 0.00 C ATOM 461 O TYR A 108 -4.069 -2.697 0.291 1.00 0.00 O ATOM 462 CB TYR A 108 -2.039 -0.206 -0.874 1.00 0.00 C ATOM 463 CG TYR A 108 -1.441 1.131 -0.482 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.636 2.261 -1.268 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.682 1.262 0.672 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.084 3.480 -0.913 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.129 2.475 1.031 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.336 3.582 0.238 1.00 0.00 C ATOM 469 OH TYR A 108 0.211 4.793 0.599 1.00 0.00 O ATOM 0 H TYR A 108 -2.943 -0.868 1.669 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.150 0.209 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.376 -0.999 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.072 -0.268 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.227 2.187 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.521 0.399 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.240 4.348 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.464 2.556 1.930 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.029 5.472 -0.066 1.00 0.00 H new ATOM 479 N HIS A 109 -3.902 -2.247 -1.897 1.00 0.00 N ATOM 480 CA HIS A 109 -4.174 -3.608 -2.334 1.00 0.00 C ATOM 481 C HIS A 109 -2.854 -4.280 -2.701 1.00 0.00 C ATOM 482 O HIS A 109 -1.809 -3.965 -2.135 1.00 0.00 O ATOM 483 CB HIS A 109 -5.099 -3.624 -3.567 1.00 0.00 C ATOM 484 CG HIS A 109 -6.514 -3.190 -3.317 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.942 -1.901 -3.552 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.570 -3.928 -2.900 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.234 -1.883 -3.269 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.661 -3.093 -2.870 1.00 0.00 N ATOM 0 H HIS A 109 -3.765 -1.585 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.670 -4.140 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.668 -2.977 -4.331 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.114 -4.634 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.557 -4.976 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.864 -1.009 -3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.611 -3.343 -2.597 1.00 0.00 H new ATOM 496 N LEU A 110 -2.908 -5.203 -3.649 1.00 0.00 N ATOM 497 CA LEU A 110 -1.708 -5.836 -4.179 1.00 0.00 C ATOM 498 C LEU A 110 -1.112 -5.016 -5.328 1.00 0.00 C ATOM 499 O LEU A 110 0.097 -5.027 -5.550 1.00 0.00 O ATOM 500 CB LEU A 110 -2.026 -7.255 -4.664 1.00 0.00 C ATOM 501 CG LEU A 110 -3.470 -7.709 -4.446 1.00 0.00 C ATOM 502 CD1 LEU A 110 -4.225 -7.749 -5.768 1.00 0.00 C ATOM 503 CD2 LEU A 110 -3.496 -9.069 -3.764 1.00 0.00 C ATOM 0 H LEU A 110 -3.776 -5.533 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.973 -5.886 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.799 -7.317 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.362 -7.953 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.968 -6.989 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.250 -8.074 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.231 -6.754 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.734 -8.447 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.530 -9.381 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.983 -9.800 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.994 -9.002 -2.799 1.00 0.00 H new ATOM 515 N LYS A 111 -1.966 -4.310 -6.062 1.00 0.00 N ATOM 516 CA LYS A 111 -1.541 -3.624 -7.283 1.00 0.00 C ATOM 517 C LYS A 111 -1.064 -2.199 -6.999 1.00 0.00 C ATOM 518 O LYS A 111 -0.153 -1.697 -7.656 1.00 0.00 O ATOM 519 CB LYS A 111 -2.680 -3.610 -8.316 1.00 0.00 C ATOM 520 CG LYS A 111 -4.032 -3.187 -7.756 1.00 0.00 C ATOM 521 CD LYS A 111 -4.283 -1.706 -7.978 1.00 0.00 C ATOM 522 CE LYS A 111 -5.234 -1.460 -9.135 1.00 0.00 C ATOM 523 NZ LYS A 111 -5.895 -0.135 -9.019 1.00 0.00 N ATOM 0 H LYS A 111 -2.954 -4.196 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.696 -4.179 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.409 -2.935 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.775 -4.606 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.823 -3.767 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.072 -3.409 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.696 -1.268 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.336 -1.203 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.687 -1.514 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.990 -2.245 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.809 -0.158 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.052 0.088 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.288 0.594 -9.445 1.00 0.00 H new ATOM 537 N CYS A 112 -1.688 -1.559 -6.019 1.00 0.00 N ATOM 538 CA CYS A 112 -1.403 -0.173 -5.678 1.00 0.00 C ATOM 539 C CYS A 112 -0.080 -0.070 -4.913 1.00 0.00 C ATOM 540 O CYS A 112 0.536 0.994 -4.842 1.00 0.00 O ATOM 541 CB CYS A 112 -2.575 0.327 -4.843 1.00 0.00 C ATOM 542 SG CYS A 112 -3.657 -1.050 -4.364 1.00 0.00 S ATOM 0 H CYS A 112 -2.408 -1.988 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.291 0.440 -6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.203 0.831 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.145 1.063 -5.411 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.802 -0.932 -4.968 1.00 0.00 H new ATOM 547 N PHE A 113 0.346 -1.196 -4.356 1.00 0.00 N ATOM 548 CA PHE A 113 1.618 -1.282 -3.649 1.00 0.00 C ATOM 549 C PHE A 113 2.779 -1.335 -4.644 1.00 0.00 C ATOM 550 O PHE A 113 3.409 -2.377 -4.839 1.00 0.00 O ATOM 551 CB PHE A 113 1.629 -2.519 -2.742 1.00 0.00 C ATOM 552 CG PHE A 113 2.078 -2.238 -1.334 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.749 -1.046 -0.714 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.835 -3.163 -0.633 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.166 -0.779 0.575 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.254 -2.904 0.657 1.00 0.00 C ATOM 557 CZ PHE A 113 2.920 -1.709 1.262 1.00 0.00 C ATOM 0 H PHE A 113 -0.177 -2.071 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 113 1.739 -0.393 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.627 -2.947 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.285 -3.272 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.158 -0.314 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.101 -4.099 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.902 0.157 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.842 -3.635 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.248 -1.502 2.270 1.00 0.00 H new ATOM 567 N THR A 114 3.050 -0.206 -5.277 1.00 0.00 N ATOM 568 CA THR A 114 4.098 -0.116 -6.274 1.00 0.00 C ATOM 569 C THR A 114 4.891 1.173 -6.098 1.00 0.00 C ATOM 570 O THR A 114 4.397 2.131 -5.498 1.00 0.00 O ATOM 571 CB THR A 114 3.499 -0.148 -7.694 1.00 0.00 C ATOM 572 OG1 THR A 114 2.227 0.525 -7.705 1.00 0.00 O ATOM 573 CG2 THR A 114 3.323 -1.578 -8.188 1.00 0.00 C ATOM 0 H THR A 114 2.551 0.669 -5.114 1.00 0.00 H new ATOM 0 HA THR A 114 4.761 -0.971 -6.142 1.00 0.00 H new ATOM 0 HB THR A 114 4.192 0.363 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.506 -0.139 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.899 -1.566 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.292 -2.077 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.653 -2.115 -7.517 1.00 0.00 H new ATOM 581 N CYS A 115 6.116 1.194 -6.608 1.00 0.00 N ATOM 582 CA CYS A 115 6.932 2.392 -6.556 1.00 0.00 C ATOM 583 C CYS A 115 6.504 3.372 -7.650 1.00 0.00 C ATOM 584 O CYS A 115 5.928 2.974 -8.667 1.00 0.00 O ATOM 585 CB CYS A 115 8.419 2.045 -6.657 1.00 0.00 C ATOM 586 SG CYS A 115 9.019 1.672 -8.333 1.00 0.00 S ATOM 0 H CYS A 115 6.562 0.396 -7.060 1.00 0.00 H new ATOM 0 HA CYS A 115 6.779 2.878 -5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.997 2.879 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.619 1.185 -6.018 1.00 0.00 H new ATOM 0 HG CYS A 115 10.110 2.341 -8.562 1.00 0.00 H new ATOM 591 N SER A 116 6.755 4.650 -7.419 1.00 0.00 N ATOM 592 CA SER A 116 6.291 5.700 -8.313 1.00 0.00 C ATOM 593 C SER A 116 7.009 5.686 -9.670 1.00 0.00 C ATOM 594 O SER A 116 6.365 5.634 -10.719 1.00 0.00 O ATOM 595 CB SER A 116 6.481 7.056 -7.632 1.00 0.00 C ATOM 596 OG SER A 116 7.173 6.906 -6.400 1.00 0.00 O ATOM 0 H SER A 116 7.282 4.988 -6.614 1.00 0.00 H new ATOM 0 HA SER A 116 5.236 5.519 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.038 7.724 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.510 7.519 -7.456 1.00 0.00 H new ATOM 0 HG SER A 116 7.287 7.784 -5.980 1.00 0.00 H new ATOM 602 N THR A 117 8.334 5.720 -9.642 1.00 0.00 N ATOM 603 CA THR A 117 9.124 5.966 -10.845 1.00 0.00 C ATOM 604 C THR A 117 9.201 4.758 -11.784 1.00 0.00 C ATOM 605 O THR A 117 8.938 4.876 -12.985 1.00 0.00 O ATOM 606 CB THR A 117 10.543 6.398 -10.458 1.00 0.00 C ATOM 607 OG1 THR A 117 10.568 6.747 -9.067 1.00 0.00 O ATOM 608 CG2 THR A 117 10.992 7.586 -11.288 1.00 0.00 C ATOM 0 H THR A 117 8.888 5.580 -8.797 1.00 0.00 H new ATOM 0 HA THR A 117 8.613 6.760 -11.390 1.00 0.00 H new ATOM 0 HB THR A 117 11.225 5.569 -10.648 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.479 6.647 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.002 7.874 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.984 7.316 -12.344 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.314 8.423 -11.122 1.00 0.00 H new ATOM 616 N CYS A 118 9.558 3.604 -11.247 1.00 0.00 N ATOM 617 CA CYS A 118 9.761 2.418 -12.068 1.00 0.00 C ATOM 618 C CYS A 118 8.544 1.502 -12.033 1.00 0.00 C ATOM 619 O CYS A 118 8.421 0.590 -12.854 1.00 0.00 O ATOM 620 CB CYS A 118 11.006 1.674 -11.591 1.00 0.00 C ATOM 621 SG CYS A 118 12.036 2.633 -10.433 1.00 0.00 S ATOM 0 H CYS A 118 9.713 3.461 -10.249 1.00 0.00 H new ATOM 0 HA CYS A 118 9.902 2.733 -13.102 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.701 0.746 -11.108 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.608 1.400 -12.457 1.00 0.00 H new ATOM 0 HG CYS A 118 12.158 1.978 -9.317 1.00 0.00 H new ATOM 626 N ARG A 119 7.649 1.762 -11.082 1.00 0.00 N ATOM 627 CA ARG A 119 6.437 0.973 -10.904 1.00 0.00 C ATOM 628 C ARG A 119 6.781 -0.465 -10.534 1.00 0.00 C ATOM 629 O ARG A 119 6.195 -1.416 -11.057 1.00 0.00 O ATOM 630 CB ARG A 119 5.575 1.014 -12.166 1.00 0.00 C ATOM 631 CG ARG A 119 4.111 0.698 -11.921 1.00 0.00 C ATOM 632 CD ARG A 119 3.531 -0.113 -13.065 1.00 0.00 C ATOM 633 NE ARG A 119 2.464 -1.013 -12.634 1.00 0.00 N ATOM 634 CZ ARG A 119 2.655 -2.283 -12.286 1.00 0.00 C ATOM 635 NH1 ARG A 119 3.886 -2.775 -12.208 1.00 0.00 N ATOM 636 NH2 ARG A 119 1.616 -3.047 -11.973 1.00 0.00 N ATOM 0 H ARG A 119 7.746 2.527 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 119 5.864 1.409 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.653 2.004 -12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.974 0.303 -12.890 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.006 0.144 -10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.549 1.625 -11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.144 0.565 -13.826 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.326 -0.695 -13.532 1.00 0.00 H new ATOM 0 HE ARG A 119 1.513 -0.645 -12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 119 4.687 -2.179 -12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 119 4.030 -3.749 -11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.672 -2.660 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.761 -4.021 -11.706 1.00 0.00 H new ATOM 650 N ASN A 120 7.748 -0.617 -9.639 1.00 0.00 N ATOM 651 CA ASN A 120 8.129 -1.924 -9.134 1.00 0.00 C ATOM 652 C ASN A 120 7.117 -2.379 -8.097 1.00 0.00 C ATOM 653 O ASN A 120 6.863 -1.675 -7.117 1.00 0.00 O ATOM 654 CB ASN A 120 9.533 -1.879 -8.517 1.00 0.00 C ATOM 655 CG ASN A 120 9.814 -3.056 -7.595 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.098 -4.162 -8.051 1.00 0.00 O ATOM 657 ND2 ASN A 120 9.743 -2.824 -6.295 1.00 0.00 N ATOM 0 H ASN A 120 8.285 0.157 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 120 8.144 -2.632 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.275 -1.865 -9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.649 -0.951 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.927 -3.577 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.504 -1.892 -5.956 1.00 0.00 H new ATOM 664 N ARG A 121 6.512 -3.532 -8.327 1.00 0.00 N ATOM 665 CA ARG A 121 5.531 -4.059 -7.396 1.00 0.00 C ATOM 666 C ARG A 121 6.209 -4.579 -6.139 1.00 0.00 C ATOM 667 O ARG A 121 7.081 -5.446 -6.207 1.00 0.00 O ATOM 668 CB ARG A 121 4.723 -5.177 -8.049 1.00 0.00 C ATOM 669 CG ARG A 121 3.234 -5.094 -7.765 1.00 0.00 C ATOM 670 CD ARG A 121 2.737 -6.318 -7.011 1.00 0.00 C ATOM 671 NE ARG A 121 2.268 -7.368 -7.921 1.00 0.00 N ATOM 672 CZ ARG A 121 1.001 -7.513 -8.303 1.00 0.00 C ATOM 673 NH1 ARG A 121 0.063 -6.701 -7.830 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.667 -8.479 -9.151 1.00 0.00 N ATOM 0 H ARG A 121 6.682 -4.117 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 121 4.856 -3.249 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.881 -5.147 -9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.099 -6.138 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.024 -4.197 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.689 -4.999 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.540 -6.711 -6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.926 -6.028 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 121 2.955 -8.028 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.312 -5.963 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.907 -6.815 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.382 -9.111 -9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.304 -8.588 -9.442 1.00 0.00 H new ATOM 688 N LEU A 122 5.813 -4.043 -4.997 1.00 0.00 N ATOM 689 CA LEU A 122 6.336 -4.501 -3.722 1.00 0.00 C ATOM 690 C LEU A 122 5.764 -5.880 -3.415 1.00 0.00 C ATOM 691 O LEU A 122 4.600 -6.151 -3.719 1.00 0.00 O ATOM 692 CB LEU A 122 5.991 -3.496 -2.623 1.00 0.00 C ATOM 693 CG LEU A 122 6.093 -2.027 -3.049 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.495 -1.116 -1.994 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.540 -1.645 -3.317 1.00 0.00 C ATOM 0 H LEU A 122 5.130 -3.289 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 122 7.422 -4.578 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.976 -3.691 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.655 -3.662 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 122 5.525 -1.904 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.579 -0.079 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.444 -1.367 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.031 -1.246 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.590 -0.599 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.129 -1.791 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.940 -2.271 -4.114 1.00 0.00 H new ATOM 707 N VAL A 123 6.568 -6.749 -2.815 1.00 0.00 N ATOM 708 CA VAL A 123 6.223 -8.159 -2.752 1.00 0.00 C ATOM 709 C VAL A 123 6.555 -8.757 -1.389 1.00 0.00 C ATOM 710 O VAL A 123 7.599 -8.460 -0.801 1.00 0.00 O ATOM 711 CB VAL A 123 6.954 -8.939 -3.880 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.400 -10.327 -3.433 1.00 0.00 C ATOM 713 CG2 VAL A 123 6.061 -9.042 -5.105 1.00 0.00 C ATOM 0 H VAL A 123 7.453 -6.504 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 123 5.146 -8.248 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 123 7.855 -8.379 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.905 -10.830 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.085 -10.235 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.529 -10.909 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 123 6.582 -9.590 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 123 5.143 -9.568 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 123 5.816 -8.042 -5.462 1.00 0.00 H new ATOM 723 N PRO A 124 5.653 -9.599 -0.864 1.00 0.00 N ATOM 724 CA PRO A 124 5.882 -10.316 0.385 1.00 0.00 C ATOM 725 C PRO A 124 7.015 -11.322 0.233 1.00 0.00 C ATOM 726 O PRO A 124 6.886 -12.318 -0.480 1.00 0.00 O ATOM 727 CB PRO A 124 4.548 -11.027 0.640 1.00 0.00 C ATOM 728 CG PRO A 124 3.912 -11.139 -0.698 1.00 0.00 C ATOM 729 CD PRO A 124 4.345 -9.921 -1.459 1.00 0.00 C ATOM 0 HA PRO A 124 6.176 -9.660 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.703 -12.009 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.923 -10.458 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.228 -12.050 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.826 -11.181 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.427 -10.122 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.637 -9.101 -1.342 1.00 0.00 H new ATOM 737 N GLY A 125 8.125 -11.047 0.891 1.00 0.00 N ATOM 738 CA GLY A 125 9.298 -11.879 0.747 1.00 0.00 C ATOM 739 C GLY A 125 10.471 -11.079 0.233 1.00 0.00 C ATOM 740 O GLY A 125 11.620 -11.516 0.311 1.00 0.00 O ATOM 0 H GLY A 125 8.236 -10.257 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.551 -12.325 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.084 -12.699 0.061 1.00 0.00 H new ATOM 744 N ASP A 126 10.177 -9.902 -0.297 1.00 0.00 N ATOM 745 CA ASP A 126 11.213 -8.986 -0.742 1.00 0.00 C ATOM 746 C ASP A 126 11.207 -7.736 0.133 1.00 0.00 C ATOM 747 O ASP A 126 10.675 -7.761 1.239 1.00 0.00 O ATOM 748 CB ASP A 126 11.025 -8.609 -2.212 1.00 0.00 C ATOM 749 CG ASP A 126 12.352 -8.346 -2.894 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.013 -9.316 -3.322 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.764 -7.170 -2.971 1.00 0.00 O ATOM 0 H ASP A 126 9.226 -9.559 -0.429 1.00 0.00 H new ATOM 0 HA ASP A 126 12.177 -9.486 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.502 -9.413 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.396 -7.721 -2.283 1.00 0.00 H new ATOM 756 N ARG A 127 11.772 -6.647 -0.363 1.00 0.00 N ATOM 757 CA ARG A 127 11.896 -5.435 0.431 1.00 0.00 C ATOM 758 C ARG A 127 11.148 -4.274 -0.206 1.00 0.00 C ATOM 759 O ARG A 127 11.300 -3.994 -1.396 1.00 0.00 O ATOM 760 CB ARG A 127 13.370 -5.067 0.625 1.00 0.00 C ATOM 761 CG ARG A 127 14.145 -4.929 -0.670 1.00 0.00 C ATOM 762 CD ARG A 127 15.290 -5.924 -0.734 1.00 0.00 C ATOM 763 NE ARG A 127 14.849 -7.250 -1.159 1.00 0.00 N ATOM 764 CZ ARG A 127 15.074 -8.368 -0.470 1.00 0.00 C ATOM 765 NH1 ARG A 127 15.747 -8.325 0.677 1.00 0.00 N ATOM 766 NH2 ARG A 127 14.628 -9.532 -0.930 1.00 0.00 N ATOM 0 H ARG A 127 12.151 -6.577 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 127 11.448 -5.633 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.430 -4.128 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.846 -5.829 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.476 -5.086 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.536 -3.915 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 127 16.049 -5.557 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.760 -5.997 0.247 1.00 0.00 H new ATOM 0 HE ARG A 127 14.337 -7.325 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.093 -7.434 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.917 -9.183 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.114 -9.569 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.800 -10.388 -0.403 1.00 0.00 H new ATOM 780 N PHE A 128 10.323 -3.617 0.593 1.00 0.00 N ATOM 781 CA PHE A 128 9.658 -2.392 0.183 1.00 0.00 C ATOM 782 C PHE A 128 10.118 -1.256 1.093 1.00 0.00 C ATOM 783 O PHE A 128 10.266 -1.447 2.303 1.00 0.00 O ATOM 784 CB PHE A 128 8.126 -2.565 0.220 1.00 0.00 C ATOM 785 CG PHE A 128 7.452 -2.005 1.447 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.485 -2.696 2.649 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.788 -0.788 1.401 1.00 0.00 C ATOM 788 CE1 PHE A 128 6.874 -2.187 3.777 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.175 -0.276 2.526 1.00 0.00 C ATOM 790 CZ PHE A 128 6.220 -0.976 3.717 1.00 0.00 C ATOM 0 H PHE A 128 10.096 -3.917 1.541 1.00 0.00 H new ATOM 0 HA PHE A 128 9.925 -2.151 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.700 -2.086 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 128 7.893 -3.628 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 128 7.996 -3.646 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.750 -0.235 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.909 -2.737 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.660 0.672 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.743 -0.574 4.599 1.00 0.00 H new ATOM 800 N HIS A 129 10.367 -0.092 0.523 1.00 0.00 N ATOM 801 CA HIS A 129 10.870 1.032 1.302 1.00 0.00 C ATOM 802 C HIS A 129 9.776 2.060 1.548 1.00 0.00 C ATOM 803 O HIS A 129 9.343 2.757 0.628 1.00 0.00 O ATOM 804 CB HIS A 129 12.060 1.682 0.592 1.00 0.00 C ATOM 805 CG HIS A 129 13.321 0.879 0.700 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.228 1.096 1.712 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.767 -0.132 -0.085 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.194 0.215 1.525 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.956 -0.550 0.449 1.00 0.00 N ATOM 0 H HIS A 129 10.232 0.103 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 129 11.201 0.652 2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.815 1.822 -0.461 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.230 2.672 1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.279 -0.531 -0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.064 0.122 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.549 -1.301 0.096 1.00 0.00 H new ATOM 817 N TYR A 130 9.325 2.139 2.790 1.00 0.00 N ATOM 818 CA TYR A 130 8.373 3.151 3.195 1.00 0.00 C ATOM 819 C TYR A 130 9.135 4.317 3.801 1.00 0.00 C ATOM 820 O TYR A 130 9.552 4.272 4.958 1.00 0.00 O ATOM 821 CB TYR A 130 7.388 2.569 4.214 1.00 0.00 C ATOM 822 CG TYR A 130 6.012 3.198 4.189 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.295 3.308 3.007 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.425 3.662 5.357 1.00 0.00 C ATOM 825 CE1 TYR A 130 4.033 3.874 2.988 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.163 4.227 5.350 1.00 0.00 C ATOM 827 CZ TYR A 130 3.471 4.328 4.161 1.00 0.00 C ATOM 828 OH TYR A 130 2.213 4.888 4.146 1.00 0.00 O ATOM 0 H TYR A 130 9.609 1.506 3.538 1.00 0.00 H new ATOM 0 HA TYR A 130 7.804 3.494 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.287 1.499 4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.808 2.685 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.729 2.946 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.964 3.580 6.289 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.491 3.960 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.723 4.586 6.268 1.00 0.00 H new ATOM 0 HH TYR A 130 1.963 5.156 5.055 1.00 0.00 H new ATOM 838 N ILE A 131 9.310 5.360 3.017 1.00 0.00 N ATOM 839 CA ILE A 131 10.099 6.499 3.445 1.00 0.00 C ATOM 840 C ILE A 131 9.266 7.765 3.377 1.00 0.00 C ATOM 841 O ILE A 131 8.712 8.095 2.330 1.00 0.00 O ATOM 842 CB ILE A 131 11.378 6.657 2.591 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.251 5.403 2.712 1.00 0.00 C ATOM 844 CG2 ILE A 131 12.163 7.893 3.013 1.00 0.00 C ATOM 845 CD1 ILE A 131 13.261 5.259 1.597 1.00 0.00 C ATOM 0 H ILE A 131 8.917 5.444 2.080 1.00 0.00 H new ATOM 0 HA ILE A 131 10.406 6.324 4.476 1.00 0.00 H new ATOM 0 HB ILE A 131 11.083 6.782 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.777 5.427 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.608 4.523 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.058 7.983 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.543 8.780 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.450 7.802 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.843 4.350 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.741 5.202 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.928 6.121 1.597 1.00 0.00 H new ATOM 857 N ASN A 132 9.157 8.442 4.516 1.00 0.00 N ATOM 858 CA ASN A 132 8.328 9.642 4.645 1.00 0.00 C ATOM 859 C ASN A 132 6.877 9.330 4.304 1.00 0.00 C ATOM 860 O ASN A 132 6.127 10.189 3.845 1.00 0.00 O ATOM 861 CB ASN A 132 8.852 10.774 3.749 1.00 0.00 C ATOM 862 CG ASN A 132 9.047 12.075 4.511 1.00 0.00 C ATOM 863 OD1 ASN A 132 9.055 12.092 5.740 1.00 0.00 O ATOM 864 ND2 ASN A 132 9.211 13.172 3.785 1.00 0.00 N ATOM 0 H ASN A 132 9.639 8.177 5.375 1.00 0.00 H new ATOM 0 HA ASN A 132 8.381 9.975 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.800 10.472 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.153 10.938 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.350 14.072 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.198 13.116 2.767 1.00 0.00 H new ATOM 871 N GLY A 133 6.489 8.083 4.541 1.00 0.00 N ATOM 872 CA GLY A 133 5.143 7.651 4.230 1.00 0.00 C ATOM 873 C GLY A 133 4.920 7.488 2.739 1.00 0.00 C ATOM 874 O GLY A 133 3.818 7.705 2.244 1.00 0.00 O ATOM 0 H GLY A 133 7.087 7.362 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.943 6.704 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 133 4.431 8.376 4.624 1.00 0.00 H new ATOM 878 N SER A 134 5.967 7.091 2.026 1.00 0.00 N ATOM 879 CA SER A 134 5.896 6.945 0.578 1.00 0.00 C ATOM 880 C SER A 134 6.495 5.610 0.157 1.00 0.00 C ATOM 881 O SER A 134 7.315 5.041 0.880 1.00 0.00 O ATOM 882 CB SER A 134 6.630 8.100 -0.105 1.00 0.00 C ATOM 883 OG SER A 134 6.318 9.339 0.515 1.00 0.00 O ATOM 0 H SER A 134 6.877 6.864 2.428 1.00 0.00 H new ATOM 0 HA SER A 134 4.850 6.969 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.706 7.928 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.355 8.137 -1.159 1.00 0.00 H new ATOM 0 HG SER A 134 6.800 10.062 0.062 1.00 0.00 H new ATOM 889 N LEU A 135 6.081 5.116 -0.999 1.00 0.00 N ATOM 890 CA LEU A 135 6.522 3.813 -1.473 1.00 0.00 C ATOM 891 C LEU A 135 7.707 3.954 -2.421 1.00 0.00 C ATOM 892 O LEU A 135 7.596 4.572 -3.481 1.00 0.00 O ATOM 893 CB LEU A 135 5.370 3.083 -2.173 1.00 0.00 C ATOM 894 CG LEU A 135 4.109 2.887 -1.325 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.980 2.316 -2.172 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.408 1.978 -0.140 1.00 0.00 C ATOM 0 H LEU A 135 5.439 5.598 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 135 6.839 3.227 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.101 3.639 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.725 2.105 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 135 3.790 3.857 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.092 2.183 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.754 3.002 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.284 1.353 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.504 1.846 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.748 1.008 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.186 2.428 0.477 1.00 0.00 H new ATOM 908 N PHE A 136 8.844 3.404 -2.018 1.00 0.00 N ATOM 909 CA PHE A 136 10.043 3.406 -2.848 1.00 0.00 C ATOM 910 C PHE A 136 10.562 1.984 -3.013 1.00 0.00 C ATOM 911 O PHE A 136 10.362 1.137 -2.138 1.00 0.00 O ATOM 912 CB PHE A 136 11.126 4.295 -2.223 1.00 0.00 C ATOM 913 CG PHE A 136 10.759 5.748 -2.184 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.458 6.431 -3.351 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.709 6.433 -0.981 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.116 7.769 -3.318 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.368 7.773 -0.943 1.00 0.00 C ATOM 918 CZ PHE A 136 10.071 8.441 -2.113 1.00 0.00 C ATOM 0 H PHE A 136 8.962 2.947 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 136 9.789 3.808 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.325 3.952 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 136 12.051 4.177 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.491 5.912 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.939 5.915 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.884 8.290 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.334 8.296 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.804 9.487 -2.086 1.00 0.00 H new ATOM 928 N CYS A 137 11.213 1.719 -4.133 1.00 0.00 N ATOM 929 CA CYS A 137 11.756 0.404 -4.401 1.00 0.00 C ATOM 930 C CYS A 137 13.251 0.373 -4.090 1.00 0.00 C ATOM 931 O CYS A 137 13.799 1.335 -3.555 1.00 0.00 O ATOM 932 CB CYS A 137 11.513 0.047 -5.865 1.00 0.00 C ATOM 933 SG CYS A 137 12.549 0.998 -7.015 1.00 0.00 S ATOM 0 H CYS A 137 11.377 2.402 -4.872 1.00 0.00 H new ATOM 0 HA CYS A 137 11.259 -0.327 -3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.703 -1.017 -6.009 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.464 0.218 -6.105 1.00 0.00 H new ATOM 0 HG CYS A 137 11.955 2.115 -7.312 1.00 0.00 H new ATOM 938 N GLU A 138 13.907 -0.729 -4.439 1.00 0.00 N ATOM 939 CA GLU A 138 15.351 -0.853 -4.248 1.00 0.00 C ATOM 940 C GLU A 138 16.107 -0.086 -5.329 1.00 0.00 C ATOM 941 O GLU A 138 17.270 0.266 -5.155 1.00 0.00 O ATOM 942 CB GLU A 138 15.777 -2.319 -4.262 1.00 0.00 C ATOM 943 CG GLU A 138 15.810 -2.944 -2.881 1.00 0.00 C ATOM 944 CD GLU A 138 16.894 -2.358 -1.994 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.992 -2.057 -2.502 1.00 0.00 O ATOM 946 OE2 GLU A 138 16.656 -2.215 -0.780 1.00 0.00 O ATOM 0 H GLU A 138 13.464 -1.548 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 138 15.596 -0.426 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.091 -2.884 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.766 -2.399 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.841 -2.806 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.967 -4.018 -2.977 1.00 0.00 H new ATOM 953 N HIS A 139 15.434 0.175 -6.441 1.00 0.00 N ATOM 954 CA HIS A 139 16.011 0.925 -7.533 1.00 0.00 C ATOM 955 C HIS A 139 15.897 2.412 -7.218 1.00 0.00 C ATOM 956 O HIS A 139 16.801 3.205 -7.493 1.00 0.00 O ATOM 957 CB HIS A 139 15.247 0.603 -8.815 1.00 0.00 C ATOM 958 CG HIS A 139 15.884 -0.451 -9.667 1.00 0.00 C ATOM 959 ND1 HIS A 139 17.236 -0.706 -9.614 1.00 0.00 N ATOM 960 CD2 HIS A 139 15.310 -1.294 -10.559 1.00 0.00 C ATOM 961 CE1 HIS A 139 17.452 -1.693 -10.468 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.313 -2.079 -11.060 1.00 0.00 N ATOM 0 H HIS A 139 14.474 -0.129 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 139 17.060 0.661 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.240 0.280 -8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 139 15.146 1.516 -9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.264 -1.338 -10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 139 18.420 -2.131 -10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 139 16.213 -2.819 -11.754 1.00 0.00 H new ATOM 970 N ASP A 140 14.761 2.762 -6.631 1.00 0.00 N ATOM 971 CA ASP A 140 14.468 4.131 -6.223 1.00 0.00 C ATOM 972 C ASP A 140 15.251 4.495 -4.978 1.00 0.00 C ATOM 973 O ASP A 140 15.604 5.659 -4.788 1.00 0.00 O ATOM 974 CB ASP A 140 12.974 4.285 -5.936 1.00 0.00 C ATOM 975 CG ASP A 140 12.193 4.793 -7.128 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.554 5.875 -7.652 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.193 4.144 -7.518 1.00 0.00 O ATOM 0 H ASP A 140 14.012 2.102 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 140 14.757 4.797 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.568 3.322 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.839 4.972 -5.100 1.00 0.00 H new ATOM 982 N ARG A 141 15.489 3.470 -4.151 1.00 0.00 N ATOM 983 CA ARG A 141 16.170 3.565 -2.852 1.00 0.00 C ATOM 984 C ARG A 141 17.038 4.810 -2.693 1.00 0.00 C ATOM 985 O ARG A 141 18.144 4.888 -3.230 1.00 0.00 O ATOM 986 CB ARG A 141 17.027 2.322 -2.637 1.00 0.00 C ATOM 987 CG ARG A 141 16.913 1.742 -1.239 1.00 0.00 C ATOM 988 CD ARG A 141 18.277 1.560 -0.594 1.00 0.00 C ATOM 989 NE ARG A 141 18.996 2.826 -0.456 1.00 0.00 N ATOM 990 CZ ARG A 141 20.216 3.052 -0.947 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.880 2.088 -1.578 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.773 4.244 -0.794 1.00 0.00 N ATOM 0 H ARG A 141 15.203 2.517 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 141 15.384 3.640 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.738 1.561 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.070 2.571 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.303 2.400 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.400 0.781 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 141 18.154 1.105 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.871 0.870 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 141 18.536 3.584 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.457 1.167 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.812 2.270 -1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.270 4.983 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.705 4.423 -1.167 1.00 0.00 H new ATOM 1006 N PRO A 142 16.528 5.812 -1.966 1.00 0.00 N ATOM 1007 CA PRO A 142 17.272 7.037 -1.668 1.00 0.00 C ATOM 1008 C PRO A 142 18.415 6.797 -0.676 1.00 0.00 C ATOM 1009 O PRO A 142 18.450 5.779 0.017 1.00 0.00 O ATOM 1010 CB PRO A 142 16.219 7.965 -1.042 1.00 0.00 C ATOM 1011 CG PRO A 142 14.899 7.317 -1.309 1.00 0.00 C ATOM 1012 CD PRO A 142 15.170 5.848 -1.410 1.00 0.00 C ATOM 0 HA PRO A 142 17.742 7.446 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 142 16.388 8.083 0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 142 16.263 8.961 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 142 14.192 7.529 -0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 142 14.458 7.696 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 142 15.117 5.358 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.452 5.347 -2.060 1.00 0.00 H new ATOM 1020 N THR A 143 19.347 7.735 -0.619 1.00 0.00 N ATOM 1021 CA THR A 143 20.455 7.675 0.324 1.00 0.00 C ATOM 1022 C THR A 143 20.289 8.757 1.391 1.00 0.00 C ATOM 1023 O THR A 143 19.676 9.793 1.121 1.00 0.00 O ATOM 1024 CB THR A 143 21.802 7.849 -0.416 1.00 0.00 C ATOM 1025 OG1 THR A 143 21.965 6.787 -1.367 1.00 0.00 O ATOM 1026 CG2 THR A 143 22.987 7.855 0.541 1.00 0.00 C ATOM 0 H THR A 143 19.358 8.557 -1.222 1.00 0.00 H new ATOM 0 HA THR A 143 20.453 6.699 0.809 1.00 0.00 H new ATOM 0 HB THR A 143 21.778 8.815 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 143 22.817 6.897 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 143 23.911 7.980 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.880 8.678 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 143 23.020 6.911 1.086 1.00 0.00 H new ATOM 1034 N ALA A 144 20.802 8.491 2.603 1.00 0.00 N ATOM 1035 CA ALA A 144 20.747 9.434 3.730 1.00 0.00 C ATOM 1036 C ALA A 144 19.345 9.520 4.322 1.00 0.00 C ATOM 1037 O ALA A 144 19.133 9.182 5.485 1.00 0.00 O ATOM 1038 CB ALA A 144 21.238 10.823 3.330 1.00 0.00 C ATOM 0 H ALA A 144 21.268 7.612 2.829 1.00 0.00 H new ATOM 0 HA ALA A 144 21.418 9.045 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 144 21.182 11.490 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 144 22.271 10.759 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 144 20.613 11.213 2.527 1.00 0.00 H new ATOM 1044 N LEU A 145 18.385 9.959 3.523 1.00 0.00 N ATOM 1045 CA LEU A 145 17.008 10.079 3.977 1.00 0.00 C ATOM 1046 C LEU A 145 16.289 8.742 3.837 1.00 0.00 C ATOM 1047 O LEU A 145 15.332 8.612 3.075 1.00 0.00 O ATOM 1048 CB LEU A 145 16.277 11.163 3.179 1.00 0.00 C ATOM 1049 CG LEU A 145 15.771 12.356 3.997 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.800 11.893 5.079 1.00 0.00 C ATOM 1051 CD2 LEU A 145 16.944 13.122 4.603 1.00 0.00 C ATOM 0 H LEU A 145 18.535 10.239 2.554 1.00 0.00 H new ATOM 0 HA LEU A 145 17.011 10.365 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 145 16.948 11.534 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 145 15.427 10.706 2.672 1.00 0.00 H new ATOM 0 HG LEU A 145 15.233 13.031 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 145 14.452 12.755 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.948 11.397 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 145 15.306 11.196 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 145 16.568 13.966 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 145 17.512 12.460 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 145 17.591 13.488 3.805 1.00 0.00 H new ATOM 1063 N ILE A 146 16.778 7.746 4.557 1.00 0.00 N ATOM 1064 CA ILE A 146 16.171 6.422 4.555 1.00 0.00 C ATOM 1065 C ILE A 146 15.670 6.068 5.949 1.00 0.00 C ATOM 1066 O ILE A 146 16.311 5.313 6.676 1.00 0.00 O ATOM 1067 CB ILE A 146 17.156 5.329 4.083 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.589 5.863 4.036 1.00 0.00 C ATOM 1069 CG2 ILE A 146 16.745 4.800 2.721 1.00 0.00 C ATOM 1070 CD1 ILE A 146 19.600 4.947 4.692 1.00 0.00 C ATOM 0 H ILE A 146 17.600 7.829 5.155 1.00 0.00 H new ATOM 0 HA ILE A 146 15.338 6.457 3.853 1.00 0.00 H new ATOM 0 HB ILE A 146 17.123 4.511 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.875 6.020 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.621 6.836 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.448 4.031 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 146 15.744 4.373 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.747 5.616 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.593 5.390 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 146 19.339 4.809 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 146 19.597 3.981 4.187 1.00 0.00 H new ATOM 1146 N GLY A 207 16.673 -2.807 4.819 1.00 0.00 N ATOM 1147 CA GLY A 207 16.407 -3.293 6.155 1.00 0.00 C ATOM 1148 C GLY A 207 14.925 -3.429 6.420 1.00 0.00 C ATOM 1149 O GLY A 207 14.478 -3.318 7.560 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.891 -4.260 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.845 -2.611 6.884 1.00 0.00 H new ATOM 1153 N SER A 208 14.170 -3.666 5.360 1.00 0.00 N ATOM 1154 CA SER A 208 12.725 -3.774 5.453 1.00 0.00 C ATOM 1155 C SER A 208 12.226 -4.916 4.569 1.00 0.00 C ATOM 1156 O SER A 208 12.955 -5.388 3.695 1.00 0.00 O ATOM 1157 CB SER A 208 12.080 -2.450 5.032 1.00 0.00 C ATOM 1158 OG SER A 208 13.044 -1.575 4.459 1.00 0.00 O ATOM 0 H SER A 208 14.539 -3.788 4.417 1.00 0.00 H new ATOM 0 HA SER A 208 12.447 -3.989 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.284 -2.641 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.620 -1.974 5.898 1.00 0.00 H new ATOM 0 HG SER A 208 12.610 -0.737 4.196 1.00 0.00 H new ATOM 1164 N ILE A 404 10.997 -5.363 4.815 1.00 0.00 N ATOM 1165 CA ILE A 404 10.381 -6.428 4.020 1.00 0.00 C ATOM 1166 C ILE A 404 9.040 -5.956 3.461 1.00 0.00 C ATOM 1167 O ILE A 404 8.995 -5.309 2.416 1.00 0.00 O ATOM 1168 CB ILE A 404 10.180 -7.731 4.844 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.508 -8.176 5.473 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.604 -8.847 3.972 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.490 -8.768 4.481 1.00 0.00 C ATOM 0 H ILE A 404 10.403 -5.003 5.562 1.00 0.00 H new ATOM 0 HA ILE A 404 11.062 -6.658 3.200 1.00 0.00 H new ATOM 0 HB ILE A 404 9.467 -7.521 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 404 11.972 -7.319 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.302 -8.913 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.473 -9.747 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.640 -8.535 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.288 -9.056 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.403 -9.058 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.047 -9.645 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.727 -8.027 3.718 1.00 0.00 H new ATOM 1183 N ALA A 405 7.954 -6.253 4.176 1.00 0.00 N ATOM 1184 CA ALA A 405 6.611 -5.913 3.725 1.00 0.00 C ATOM 1185 C ALA A 405 5.599 -6.145 4.844 1.00 0.00 C ATOM 1186 O ALA A 405 5.864 -6.911 5.774 1.00 0.00 O ATOM 1187 CB ALA A 405 6.242 -6.743 2.500 1.00 0.00 C ATOM 0 H ALA A 405 7.983 -6.732 5.076 1.00 0.00 H new ATOM 0 HA ALA A 405 6.592 -4.858 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.236 -6.480 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.950 -6.541 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.275 -7.802 2.755 1.00 0.00 H new ATOM 1193 N PRO A 406 4.436 -5.474 4.785 1.00 0.00 N ATOM 1194 CA PRO A 406 3.351 -5.703 5.742 1.00 0.00 C ATOM 1195 C PRO A 406 2.584 -6.978 5.415 1.00 0.00 C ATOM 1196 O PRO A 406 1.890 -7.532 6.269 1.00 0.00 O ATOM 1197 CB PRO A 406 2.464 -4.473 5.563 1.00 0.00 C ATOM 1198 CG PRO A 406 2.672 -4.059 4.142 1.00 0.00 C ATOM 1199 CD PRO A 406 4.093 -4.431 3.798 1.00 0.00 C ATOM 0 HA PRO A 406 3.707 -5.833 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 406 1.418 -4.708 5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 406 2.746 -3.677 6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 406 1.967 -4.565 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 406 2.510 -2.988 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.172 -4.805 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 406 4.761 -3.573 3.875 1.00 0.00 H new ATOM 1207 N PHE A 407 2.737 -7.420 4.162 1.00 0.00 N ATOM 1208 CA PHE A 407 2.132 -8.652 3.650 1.00 0.00 C ATOM 1209 C PHE A 407 0.636 -8.466 3.371 1.00 0.00 C ATOM 1210 O PHE A 407 -0.030 -7.646 4.004 1.00 0.00 O ATOM 1211 CB PHE A 407 2.352 -9.819 4.621 1.00 0.00 C ATOM 1212 CG PHE A 407 3.566 -10.659 4.311 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.838 -10.103 4.338 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.433 -12.001 3.990 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.952 -10.870 4.054 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.543 -12.771 3.705 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.804 -12.204 3.735 1.00 0.00 C ATOM 0 H PHE A 407 3.293 -6.924 3.466 1.00 0.00 H new ATOM 0 HA PHE A 407 2.626 -8.889 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.446 -9.423 5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 407 1.469 -10.458 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.958 -9.058 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 407 2.451 -12.449 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.936 -10.426 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 407 4.427 -13.816 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.672 -12.805 3.509 1.00 0.00 H new ATOM 1227 N PRO A 408 0.101 -9.205 2.384 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.320 -9.147 2.038 1.00 0.00 C ATOM 1229 C PRO A 408 -2.200 -9.906 3.033 1.00 0.00 C ATOM 1230 O PRO A 408 -2.097 -11.128 3.181 1.00 0.00 O ATOM 1231 CB PRO A 408 -1.365 -9.797 0.655 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.226 -10.757 0.651 1.00 0.00 C ATOM 1233 CD PRO A 408 0.844 -10.137 1.510 1.00 0.00 C ATOM 0 HA PRO A 408 -1.708 -8.129 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.314 -10.307 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.259 -9.054 -0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -0.531 -11.726 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 408 0.137 -10.927 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 408 1.377 -10.890 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.587 -9.614 0.908 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.067 -9.171 3.707 1.00 0.00 N ATOM 1242 CA GLU A 409 -3.971 -9.746 4.688 1.00 0.00 C ATOM 1243 C GLU A 409 -5.366 -9.150 4.522 1.00 0.00 C ATOM 1244 O GLU A 409 -5.579 -8.269 3.686 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.450 -9.501 6.108 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.974 -10.767 6.811 1.00 0.00 C ATOM 1247 CD GLU A 409 -4.098 -11.526 7.490 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -5.279 -11.219 7.227 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -3.806 -12.442 8.290 1.00 0.00 O ATOM 0 H GLU A 409 -3.164 -8.162 3.591 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.026 -10.822 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.627 -8.788 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.240 -9.041 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.490 -11.419 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.221 -10.503 7.554 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.307 -9.627 5.319 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.681 -9.159 5.249 1.00 0.00 C ATOM 1258 C ALA A 410 -7.877 -7.965 6.177 1.00 0.00 C ATOM 1259 O ALA A 410 -7.420 -7.979 7.319 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.634 -10.284 5.620 1.00 0.00 C ATOM 0 H ALA A 410 -6.143 -10.343 6.027 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.896 -8.843 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.661 -9.924 5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.503 -11.115 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.422 -10.621 6.635 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.537 -6.931 5.678 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.809 -5.743 6.474 1.00 0.00 C ATOM 1268 C ALA A 411 -10.286 -5.683 6.854 1.00 0.00 C ATOM 1269 O ALA A 411 -11.008 -6.669 6.709 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.406 -4.491 5.709 1.00 0.00 C ATOM 0 H ALA A 411 -8.895 -6.890 4.724 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.219 -5.796 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.615 -3.610 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.341 -4.531 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.973 -4.434 4.780 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.728 -4.526 7.335 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.120 -4.337 7.721 1.00 0.00 C ATOM 1278 C LEU A 412 -13.023 -4.381 6.489 1.00 0.00 C ATOM 1279 O LEU A 412 -12.838 -3.610 5.548 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.282 -3.008 8.464 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.532 -3.131 9.968 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.419 -3.924 10.640 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -12.656 -1.753 10.594 1.00 0.00 C ATOM 0 H LEU A 412 -10.140 -3.703 7.467 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.415 -5.146 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.383 -2.411 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.111 -2.459 8.017 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.468 -3.669 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -11.619 -3.998 11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.374 -4.924 10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -10.466 -3.418 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -12.834 -1.854 11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -11.734 -1.195 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -13.489 -1.219 10.137 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.002 -5.299 6.481 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.872 -5.527 5.330 1.00 0.00 C ATOM 1297 C PRO A 413 -15.890 -4.411 5.121 1.00 0.00 C ATOM 1298 O PRO A 413 -16.519 -3.932 6.066 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.591 -6.845 5.663 1.00 0.00 C ATOM 1300 CG PRO A 413 -14.926 -7.379 6.890 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.337 -6.195 7.593 1.00 0.00 C ATOM 0 HA PRO A 413 -14.297 -5.560 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.654 -6.676 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.512 -7.552 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.643 -7.894 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.153 -8.102 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -15.047 -5.738 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.456 -6.466 8.175 1.00 0.00 H new ATOM 1309 N THR A 414 -16.041 -4.004 3.869 1.00 0.00 N ATOM 1310 CA THR A 414 -17.031 -3.009 3.495 1.00 0.00 C ATOM 1311 C THR A 414 -18.454 -3.563 3.685 1.00 0.00 C ATOM 1312 O THR A 414 -18.663 -4.781 3.658 1.00 0.00 O ATOM 1313 CB THR A 414 -16.786 -2.530 2.038 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.434 -1.139 2.040 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.990 -2.743 1.132 1.00 0.00 C ATOM 0 H THR A 414 -15.484 -4.353 3.089 1.00 0.00 H new ATOM 0 HA THR A 414 -16.931 -2.143 4.150 1.00 0.00 H new ATOM 0 HB THR A 414 -15.971 -3.134 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 414 -15.458 -1.048 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.757 -2.389 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.234 -3.805 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 414 -18.843 -2.188 1.524 1.00 0.00 H new ATOM 1323 N SER A 415 -19.409 -2.660 3.917 1.00 0.00 N ATOM 1324 CA SER A 415 -20.802 -3.029 4.168 1.00 0.00 C ATOM 1325 C SER A 415 -21.459 -3.695 2.958 1.00 0.00 C ATOM 1326 O SER A 415 -20.926 -3.666 1.848 1.00 0.00 O ATOM 1327 CB SER A 415 -21.595 -1.782 4.561 1.00 0.00 C ATOM 1328 OG SER A 415 -20.795 -0.881 5.314 1.00 0.00 O ATOM 0 H SER A 415 -19.238 -1.655 3.936 1.00 0.00 H new ATOM 0 HA SER A 415 -20.807 -3.756 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 415 -21.962 -1.284 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 415 -22.468 -2.072 5.145 1.00 0.00 H new ATOM 0 HG SER A 415 -20.828 0.008 4.903 1.00 0.00 H new