USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.256 USER MOD Single : A 94 SER OG : rot -63:sc= 0.087 USER MOD Single : A 97 MET CE :methyl -133:sc= -1.06 (180deg=-3.4!) USER MOD Single : A 102 MET CE :methyl 176:sc= -0.123 (180deg=-0.151) USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0726) USER MOD Single : A 114 HIS : no HD1:sc= -4.02! C(o=-4!,f=-4.6!) USER MOD Single : A 118 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.2!) USER MOD Single : A 120 SER OG : rot -38:sc= 0.574 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -124:sc= -0.519 (180deg=-1.6) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 134 MET CE :methyl -128:sc= 0 (180deg=-0.0837) USER MOD Single : A 135 CYS SG : rot -22:sc= -0.57 USER MOD Single : A 136 THR OG1 : rot -54:sc= 1.81 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.667 0.170 12.430 1.00 0.00 N ATOM 109 CA TRP A 87 11.452 -0.054 11.005 1.00 0.00 C ATOM 110 C TRP A 87 12.371 0.832 10.170 1.00 0.00 C ATOM 111 O TRP A 87 12.747 1.925 10.593 1.00 0.00 O ATOM 112 CB TRP A 87 9.992 0.217 10.640 1.00 0.00 C ATOM 113 CG TRP A 87 9.058 -0.869 11.081 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.650 -1.131 12.358 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.417 -1.840 10.246 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.794 -2.206 12.367 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.635 -2.658 11.084 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.427 -2.096 8.872 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.872 -3.714 10.591 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.670 -3.144 8.385 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.900 -3.942 9.242 1.00 0.00 C ATOM 0 HA TRP A 87 11.686 -1.096 10.787 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.681 1.159 11.091 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.912 0.339 9.560 1.00 0.00 H new ATOM 0 HD1 TRP A 87 8.955 -0.575 13.232 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.349 -2.603 13.195 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.016 -1.486 8.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.279 -4.331 11.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.672 -3.352 7.325 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.317 -4.753 8.830 1.00 0.00 H new ATOM 132 N VAL A 88 12.728 0.353 8.983 1.00 0.00 N ATOM 133 CA VAL A 88 13.602 1.102 8.088 1.00 0.00 C ATOM 134 C VAL A 88 12.820 1.683 6.915 1.00 0.00 C ATOM 135 O VAL A 88 11.888 1.059 6.409 1.00 0.00 O ATOM 136 CB VAL A 88 14.741 0.219 7.545 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.787 -0.026 8.621 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.188 -1.097 7.018 1.00 0.00 C ATOM 0 H VAL A 88 12.426 -0.550 8.619 1.00 0.00 H new ATOM 0 HA VAL A 88 14.031 1.915 8.673 1.00 0.00 H new ATOM 0 HB VAL A 88 15.221 0.743 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.584 -0.652 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.204 0.927 8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.325 -0.529 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.006 -1.709 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.682 -1.628 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.480 -0.898 6.214 1.00 0.00 H new ATOM 148 N GLN A 89 13.207 2.881 6.488 1.00 0.00 N ATOM 149 CA GLN A 89 12.541 3.545 5.374 1.00 0.00 C ATOM 150 C GLN A 89 12.125 2.537 4.308 1.00 0.00 C ATOM 151 O GLN A 89 10.965 2.497 3.897 1.00 0.00 O ATOM 152 CB GLN A 89 13.460 4.603 4.761 1.00 0.00 C ATOM 153 CG GLN A 89 12.755 5.529 3.783 1.00 0.00 C ATOM 154 CD GLN A 89 13.539 6.798 3.512 1.00 0.00 C ATOM 155 OE1 GLN A 89 13.734 7.623 4.405 1.00 0.00 O ATOM 156 NE2 GLN A 89 13.993 6.962 2.275 1.00 0.00 N ATOM 0 H GLN A 89 13.977 3.411 6.896 1.00 0.00 H new ATOM 0 HA GLN A 89 11.644 4.031 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.898 5.199 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.282 4.105 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.589 5.001 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.774 5.790 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.808 6.253 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.527 7.797 2.034 1.00 0.00 H new ATOM 165 N ASP A 90 13.078 1.724 3.866 1.00 0.00 N ATOM 166 CA ASP A 90 12.810 0.715 2.848 1.00 0.00 C ATOM 167 C ASP A 90 11.541 -0.065 3.178 1.00 0.00 C ATOM 168 O ASP A 90 10.535 0.044 2.477 1.00 0.00 O ATOM 169 CB ASP A 90 13.995 -0.244 2.726 1.00 0.00 C ATOM 170 CG ASP A 90 15.326 0.481 2.704 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.482 1.410 1.884 1.00 0.00 O ATOM 172 OD2 ASP A 90 16.213 0.119 3.506 1.00 0.00 O ATOM 0 H ASP A 90 14.043 1.744 4.197 1.00 0.00 H new ATOM 0 HA ASP A 90 12.665 1.224 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.980 -0.944 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.890 -0.833 1.815 1.00 0.00 H new ATOM 177 N GLU A 91 11.597 -0.853 4.247 1.00 0.00 N ATOM 178 CA GLU A 91 10.452 -1.652 4.667 1.00 0.00 C ATOM 179 C GLU A 91 9.205 -0.784 4.809 1.00 0.00 C ATOM 180 O GLU A 91 8.201 -1.003 4.131 1.00 0.00 O ATOM 181 CB GLU A 91 10.751 -2.354 5.993 1.00 0.00 C ATOM 182 CG GLU A 91 11.833 -3.417 5.889 1.00 0.00 C ATOM 183 CD GLU A 91 12.031 -4.177 7.186 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.089 -4.879 7.611 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.127 -4.071 7.775 1.00 0.00 O ATOM 0 H GLU A 91 12.422 -0.955 4.838 1.00 0.00 H new ATOM 0 HA GLU A 91 10.265 -2.403 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.055 -1.609 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.836 -2.814 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.572 -4.119 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.773 -2.946 5.601 1.00 0.00 H new ATOM 192 N THR A 92 9.276 0.203 5.697 1.00 0.00 N ATOM 193 CA THR A 92 8.154 1.104 5.930 1.00 0.00 C ATOM 194 C THR A 92 7.473 1.484 4.620 1.00 0.00 C ATOM 195 O THR A 92 6.251 1.401 4.499 1.00 0.00 O ATOM 196 CB THR A 92 8.605 2.387 6.653 1.00 0.00 C ATOM 197 OG1 THR A 92 9.423 2.053 7.780 1.00 0.00 O ATOM 198 CG2 THR A 92 7.403 3.198 7.115 1.00 0.00 C ATOM 0 H THR A 92 10.099 0.399 6.267 1.00 0.00 H new ATOM 0 HA THR A 92 7.445 0.570 6.563 1.00 0.00 H new ATOM 0 HB THR A 92 9.183 2.989 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.321 1.810 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.746 4.099 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.798 3.476 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.803 2.601 7.802 1.00 0.00 H new ATOM 206 N ARG A 93 8.271 1.901 3.643 1.00 0.00 N ATOM 207 CA ARG A 93 7.745 2.295 2.342 1.00 0.00 C ATOM 208 C ARG A 93 6.955 1.154 1.707 1.00 0.00 C ATOM 209 O ARG A 93 5.805 1.330 1.306 1.00 0.00 O ATOM 210 CB ARG A 93 8.884 2.718 1.414 1.00 0.00 C ATOM 211 CG ARG A 93 8.474 3.754 0.379 1.00 0.00 C ATOM 212 CD ARG A 93 8.606 5.168 0.923 1.00 0.00 C ATOM 213 NE ARG A 93 7.388 5.611 1.595 1.00 0.00 N ATOM 214 CZ ARG A 93 6.276 5.950 0.952 1.00 0.00 C ATOM 215 NH1 ARG A 93 6.229 5.896 -0.372 1.00 0.00 N ATOM 216 NH2 ARG A 93 5.208 6.344 1.634 1.00 0.00 N ATOM 0 H ARG A 93 9.285 1.975 3.728 1.00 0.00 H new ATOM 0 HA ARG A 93 7.074 3.141 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.700 3.120 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.269 1.837 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.094 3.646 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.443 3.576 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.442 5.211 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.838 5.851 0.106 1.00 0.00 H new ATOM 0 HE ARG A 93 7.391 5.663 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.048 5.594 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.374 6.157 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.241 6.387 2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.355 6.604 1.140 1.00 0.00 H new ATOM 230 N SER A 94 7.581 -0.015 1.620 1.00 0.00 N ATOM 231 CA SER A 94 6.938 -1.184 1.030 1.00 0.00 C ATOM 232 C SER A 94 5.607 -1.476 1.716 1.00 0.00 C ATOM 233 O SER A 94 4.611 -1.782 1.060 1.00 0.00 O ATOM 234 CB SER A 94 7.857 -2.403 1.133 1.00 0.00 C ATOM 235 OG SER A 94 7.634 -3.301 0.059 1.00 0.00 O ATOM 0 H SER A 94 8.532 -0.178 1.950 1.00 0.00 H new ATOM 0 HA SER A 94 6.745 -0.971 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.898 -2.079 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.684 -2.914 2.080 1.00 0.00 H new ATOM 0 HG SER A 94 6.715 -3.640 0.101 1.00 0.00 H new ATOM 241 N LEU A 95 5.598 -1.381 3.041 1.00 0.00 N ATOM 242 CA LEU A 95 4.390 -1.635 3.819 1.00 0.00 C ATOM 243 C LEU A 95 3.304 -0.618 3.484 1.00 0.00 C ATOM 244 O LEU A 95 2.243 -0.975 2.971 1.00 0.00 O ATOM 245 CB LEU A 95 4.704 -1.589 5.315 1.00 0.00 C ATOM 246 CG LEU A 95 3.508 -1.384 6.246 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.532 -2.544 6.123 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.974 -1.227 7.686 1.00 0.00 C ATOM 0 H LEU A 95 6.414 -1.130 3.599 1.00 0.00 H new ATOM 0 HA LEU A 95 4.024 -2.629 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.198 -2.521 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.418 -0.785 5.491 1.00 0.00 H new ATOM 0 HG LEU A 95 2.994 -0.470 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.687 -2.381 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.173 -2.610 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.035 -3.473 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.110 -1.082 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.512 -2.123 7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.634 -0.363 7.763 1.00 0.00 H new ATOM 260 N ILE A 96 3.577 0.650 3.775 1.00 0.00 N ATOM 261 CA ILE A 96 2.624 1.718 3.502 1.00 0.00 C ATOM 262 C ILE A 96 1.977 1.541 2.132 1.00 0.00 C ATOM 263 O ILE A 96 0.764 1.684 1.984 1.00 0.00 O ATOM 264 CB ILE A 96 3.297 3.102 3.564 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.862 3.356 4.963 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.305 4.191 3.182 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.876 4.477 5.011 1.00 0.00 C ATOM 0 H ILE A 96 4.450 0.962 4.200 1.00 0.00 H new ATOM 0 HA ILE A 96 1.856 1.661 4.274 1.00 0.00 H new ATOM 0 HB ILE A 96 4.121 3.121 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.041 3.591 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.327 2.441 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.795 5.163 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.945 4.016 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.463 4.175 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.233 4.601 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.716 4.236 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.410 5.403 4.675 1.00 0.00 H new ATOM 279 N MET A 97 2.796 1.227 1.133 1.00 0.00 N ATOM 280 CA MET A 97 2.303 1.027 -0.224 1.00 0.00 C ATOM 281 C MET A 97 1.349 -0.161 -0.287 1.00 0.00 C ATOM 282 O MET A 97 0.179 -0.013 -0.643 1.00 0.00 O ATOM 283 CB MET A 97 3.472 0.809 -1.187 1.00 0.00 C ATOM 284 CG MET A 97 3.044 0.660 -2.638 1.00 0.00 C ATOM 285 SD MET A 97 2.502 2.219 -3.366 1.00 0.00 S ATOM 286 CE MET A 97 0.748 2.167 -3.011 1.00 0.00 C ATOM 0 H MET A 97 3.803 1.106 1.238 1.00 0.00 H new ATOM 0 HA MET A 97 1.758 1.923 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.162 1.649 -1.105 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.020 -0.084 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.876 0.262 -3.219 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.234 -0.067 -2.701 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.187 2.429 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.471 1.163 -2.690 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.516 2.878 -2.218 1.00 0.00 H new ATOM 296 N PHE A 98 1.855 -1.339 0.061 1.00 0.00 N ATOM 297 CA PHE A 98 1.047 -2.554 0.044 1.00 0.00 C ATOM 298 C PHE A 98 -0.308 -2.315 0.704 1.00 0.00 C ATOM 299 O PHE A 98 -1.342 -2.749 0.198 1.00 0.00 O ATOM 300 CB PHE A 98 1.782 -3.691 0.756 1.00 0.00 C ATOM 301 CG PHE A 98 2.687 -4.478 -0.147 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.181 -5.131 -1.259 1.00 0.00 C ATOM 303 CD2 PHE A 98 4.045 -4.565 0.116 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.012 -5.857 -2.091 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.881 -5.289 -0.713 1.00 0.00 C ATOM 306 CZ PHE A 98 4.364 -5.935 -1.818 1.00 0.00 C ATOM 0 H PHE A 98 2.821 -1.479 0.358 1.00 0.00 H new ATOM 0 HA PHE A 98 0.880 -2.835 -0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.370 -3.276 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.049 -4.365 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.125 -5.072 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.455 -4.061 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.605 -6.363 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.937 -5.349 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.015 -6.500 -2.468 1.00 0.00 H new ATOM 316 N ARG A 99 -0.292 -1.623 1.839 1.00 0.00 N ATOM 317 CA ARG A 99 -1.518 -1.328 2.571 1.00 0.00 C ATOM 318 C ARG A 99 -2.465 -0.480 1.726 1.00 0.00 C ATOM 319 O ARG A 99 -3.671 -0.723 1.695 1.00 0.00 O ATOM 320 CB ARG A 99 -1.195 -0.603 3.878 1.00 0.00 C ATOM 321 CG ARG A 99 -2.425 -0.092 4.611 1.00 0.00 C ATOM 322 CD ARG A 99 -3.199 -1.228 5.260 1.00 0.00 C ATOM 323 NE ARG A 99 -4.583 -0.857 5.541 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.359 -1.509 6.400 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.888 -2.559 7.059 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.608 -1.110 6.602 1.00 0.00 N ATOM 0 H ARG A 99 0.556 -1.256 2.271 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.011 -2.273 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.647 -1.280 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.535 0.237 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.123 0.626 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.072 0.438 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.183 -2.098 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.706 -1.519 6.188 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.976 -0.053 5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.928 -2.868 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.486 -3.058 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.973 -0.302 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.203 -1.611 7.262 1.00 0.00 H new ATOM 340 N ARG A 100 -1.909 0.516 1.044 1.00 0.00 N ATOM 341 CA ARG A 100 -2.704 1.401 0.201 1.00 0.00 C ATOM 342 C ARG A 100 -3.307 0.637 -0.973 1.00 0.00 C ATOM 343 O ARG A 100 -4.518 0.666 -1.190 1.00 0.00 O ATOM 344 CB ARG A 100 -1.843 2.556 -0.316 1.00 0.00 C ATOM 345 CG ARG A 100 -1.343 3.482 0.781 1.00 0.00 C ATOM 346 CD ARG A 100 -0.141 4.292 0.321 1.00 0.00 C ATOM 347 NE ARG A 100 0.061 5.484 1.140 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.766 6.524 1.140 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.844 6.518 0.370 1.00 0.00 N ATOM 350 NH2 ARG A 100 -0.514 7.573 1.913 1.00 0.00 N ATOM 0 H ARG A 100 -0.912 0.730 1.059 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.517 1.804 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.987 2.148 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.422 3.137 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.144 4.157 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.073 2.895 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.753 3.669 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.279 4.586 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 100 0.881 5.520 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.041 5.713 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.477 7.318 0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.315 7.581 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.149 8.371 1.913 1.00 0.00 H new ATOM 364 N GLY A 101 -2.453 -0.047 -1.730 1.00 0.00 N ATOM 365 CA GLY A 101 -2.920 -0.809 -2.873 1.00 0.00 C ATOM 366 C GLY A 101 -3.976 -1.830 -2.497 1.00 0.00 C ATOM 367 O GLY A 101 -4.779 -2.239 -3.335 1.00 0.00 O ATOM 0 H GLY A 101 -1.446 -0.086 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.328 -0.127 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.075 -1.319 -3.336 1.00 0.00 H new ATOM 371 N MET A 102 -3.975 -2.242 -1.234 1.00 0.00 N ATOM 372 CA MET A 102 -4.940 -3.222 -0.749 1.00 0.00 C ATOM 373 C MET A 102 -6.114 -2.534 -0.059 1.00 0.00 C ATOM 374 O MET A 102 -7.141 -3.158 0.209 1.00 0.00 O ATOM 375 CB MET A 102 -4.267 -4.199 0.217 1.00 0.00 C ATOM 376 CG MET A 102 -3.666 -5.415 -0.470 1.00 0.00 C ATOM 377 SD MET A 102 -2.990 -6.609 0.700 1.00 0.00 S ATOM 378 CE MET A 102 -4.492 -7.359 1.324 1.00 0.00 C ATOM 0 H MET A 102 -3.317 -1.913 -0.528 1.00 0.00 H new ATOM 0 HA MET A 102 -5.320 -3.776 -1.608 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.482 -3.675 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.999 -4.532 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.431 -5.900 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.878 -5.091 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.237 -8.169 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.080 -6.609 1.853 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.074 -7.756 0.492 1.00 0.00 H new ATOM 388 N ASP A 103 -5.954 -1.246 0.226 1.00 0.00 N ATOM 389 CA ASP A 103 -7.001 -0.474 0.885 1.00 0.00 C ATOM 390 C ASP A 103 -8.375 -0.835 0.329 1.00 0.00 C ATOM 391 O ASP A 103 -9.329 -1.029 1.081 1.00 0.00 O ATOM 392 CB ASP A 103 -6.745 1.024 0.710 1.00 0.00 C ATOM 393 CG ASP A 103 -7.425 1.588 -0.522 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.672 1.568 -0.572 1.00 0.00 O ATOM 395 OD2 ASP A 103 -6.709 2.049 -1.436 1.00 0.00 O ATOM 0 H ASP A 103 -5.110 -0.715 0.011 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.984 -0.717 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.100 1.556 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.672 1.201 0.642 1.00 0.00 H new ATOM 400 N GLY A 104 -8.467 -0.925 -0.995 1.00 0.00 N ATOM 401 CA GLY A 104 -9.728 -1.262 -1.629 1.00 0.00 C ATOM 402 C GLY A 104 -10.513 -2.295 -0.845 1.00 0.00 C ATOM 403 O GLY A 104 -11.708 -2.121 -0.598 1.00 0.00 O ATOM 0 H GLY A 104 -7.691 -0.771 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.329 -0.359 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.537 -1.641 -2.633 1.00 0.00 H new ATOM 407 N LEU A 105 -9.844 -3.373 -0.455 1.00 0.00 N ATOM 408 CA LEU A 105 -10.487 -4.440 0.305 1.00 0.00 C ATOM 409 C LEU A 105 -10.957 -3.933 1.664 1.00 0.00 C ATOM 410 O LEU A 105 -12.135 -4.041 2.005 1.00 0.00 O ATOM 411 CB LEU A 105 -9.523 -5.613 0.490 1.00 0.00 C ATOM 412 CG LEU A 105 -8.926 -6.201 -0.789 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.712 -7.057 -0.467 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.970 -7.013 -1.540 1.00 0.00 C ATOM 0 H LEU A 105 -8.856 -3.532 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.358 -4.779 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.705 -5.287 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -10.047 -6.408 1.021 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.605 -5.379 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.301 -7.467 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.957 -6.446 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.007 -7.873 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.528 -7.424 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.322 -7.828 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.810 -6.370 -1.805 1.00 0.00 H new ATOM 426 N PHE A 106 -10.029 -3.378 2.436 1.00 0.00 N ATOM 427 CA PHE A 106 -10.348 -2.853 3.759 1.00 0.00 C ATOM 428 C PHE A 106 -11.598 -1.978 3.709 1.00 0.00 C ATOM 429 O PHE A 106 -12.505 -2.127 4.527 1.00 0.00 O ATOM 430 CB PHE A 106 -9.170 -2.047 4.309 1.00 0.00 C ATOM 431 CG PHE A 106 -7.999 -2.897 4.714 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.950 -3.478 5.971 1.00 0.00 C ATOM 433 CD2 PHE A 106 -6.949 -3.116 3.837 1.00 0.00 C ATOM 434 CE1 PHE A 106 -6.874 -4.259 6.346 1.00 0.00 C ATOM 435 CE2 PHE A 106 -5.870 -3.897 4.207 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.833 -4.471 5.463 1.00 0.00 C ATOM 0 H PHE A 106 -9.050 -3.280 2.168 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.542 -3.697 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.845 -1.331 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.506 -1.470 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.762 -3.319 6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.974 -2.671 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.847 -4.704 7.330 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.057 -4.058 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.993 -5.084 5.754 1.00 0.00 H new ATOM 532 N LYS A 113 -8.539 -9.284 9.531 1.00 0.00 N ATOM 533 CA LYS A 113 -7.459 -10.166 9.956 1.00 0.00 C ATOM 534 C LYS A 113 -6.844 -10.888 8.761 1.00 0.00 C ATOM 535 O LYS A 113 -5.622 -10.951 8.624 1.00 0.00 O ATOM 536 CB LYS A 113 -7.977 -11.188 10.971 1.00 0.00 C ATOM 537 CG LYS A 113 -7.879 -10.718 12.412 1.00 0.00 C ATOM 538 CD LYS A 113 -8.908 -9.643 12.719 1.00 0.00 C ATOM 539 CE LYS A 113 -8.731 -9.087 14.124 1.00 0.00 C ATOM 540 NZ LYS A 113 -7.510 -8.241 14.235 1.00 0.00 N ATOM 0 HA LYS A 113 -6.688 -9.555 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.018 -11.419 10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.414 -12.115 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.025 -11.565 13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.878 -10.330 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.819 -8.835 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.911 -10.057 12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.607 -8.498 14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.668 -9.910 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.504 -7.759 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.664 -8.840 14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.508 -7.532 13.474 1.00 0.00 H new ATOM 554 N HIS A 114 -7.698 -11.429 7.899 1.00 0.00 N ATOM 555 CA HIS A 114 -7.237 -12.144 6.714 1.00 0.00 C ATOM 556 C HIS A 114 -6.417 -11.228 5.811 1.00 0.00 C ATOM 557 O HIS A 114 -5.377 -11.627 5.284 1.00 0.00 O ATOM 558 CB HIS A 114 -8.428 -12.710 5.939 1.00 0.00 C ATOM 559 CG HIS A 114 -9.140 -11.689 5.106 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.171 -10.910 5.590 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.965 -11.319 3.816 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.599 -10.107 4.632 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.883 -10.335 3.546 1.00 0.00 N ATOM 0 H HIS A 114 -8.712 -11.386 7.998 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.601 -12.967 7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.081 -13.516 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.134 -13.149 6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.238 -11.723 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.399 -9.387 4.722 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.994 -9.857 2.652 1.00 0.00 H new ATOM 571 N LEU A 115 -6.890 -9.999 5.636 1.00 0.00 N ATOM 572 CA LEU A 115 -6.200 -9.026 4.797 1.00 0.00 C ATOM 573 C LEU A 115 -4.764 -8.821 5.268 1.00 0.00 C ATOM 574 O LEU A 115 -3.831 -8.822 4.464 1.00 0.00 O ATOM 575 CB LEU A 115 -6.948 -7.691 4.809 1.00 0.00 C ATOM 576 CG LEU A 115 -8.300 -7.673 4.095 1.00 0.00 C ATOM 577 CD1 LEU A 115 -9.019 -6.357 4.347 1.00 0.00 C ATOM 578 CD2 LEU A 115 -8.117 -7.905 2.602 1.00 0.00 C ATOM 0 H LEU A 115 -7.749 -9.653 6.064 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.177 -9.414 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.103 -7.394 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.309 -6.935 4.353 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.912 -8.481 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.979 -6.362 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.183 -6.231 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.411 -5.533 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.089 -7.889 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.487 -7.119 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.644 -8.873 2.440 1.00 0.00 H new ATOM 590 N TRP A 116 -4.594 -8.649 6.573 1.00 0.00 N ATOM 591 CA TRP A 116 -3.270 -8.446 7.151 1.00 0.00 C ATOM 592 C TRP A 116 -2.343 -9.606 6.809 1.00 0.00 C ATOM 593 O TRP A 116 -1.201 -9.399 6.401 1.00 0.00 O ATOM 594 CB TRP A 116 -3.373 -8.289 8.669 1.00 0.00 C ATOM 595 CG TRP A 116 -3.933 -6.965 9.093 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.119 -6.744 9.733 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.330 -5.680 8.906 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.290 -5.398 9.955 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.206 -4.724 9.457 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.135 -5.244 8.327 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.923 -3.361 9.445 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.856 -3.890 8.316 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.746 -2.962 8.872 1.00 0.00 C ATOM 0 H TRP A 116 -5.356 -8.646 7.252 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.851 -7.534 6.726 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.001 -9.086 9.068 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.383 -8.414 9.108 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.820 -7.513 10.022 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.093 -4.971 10.416 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.442 -5.952 7.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.608 -2.644 9.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.936 -3.542 7.871 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.498 -1.911 8.848 1.00 0.00 H new ATOM 614 N GLU A 117 -2.842 -10.827 6.978 1.00 0.00 N ATOM 615 CA GLU A 117 -2.056 -12.020 6.687 1.00 0.00 C ATOM 616 C GLU A 117 -1.495 -11.969 5.269 1.00 0.00 C ATOM 617 O GLU A 117 -0.343 -12.334 5.033 1.00 0.00 O ATOM 618 CB GLU A 117 -2.910 -13.277 6.864 1.00 0.00 C ATOM 619 CG GLU A 117 -3.601 -13.358 8.216 1.00 0.00 C ATOM 620 CD GLU A 117 -3.884 -14.785 8.642 1.00 0.00 C ATOM 621 OE1 GLU A 117 -2.925 -15.497 9.007 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.065 -15.190 8.610 1.00 0.00 O ATOM 0 H GLU A 117 -3.786 -11.015 7.315 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.222 -12.054 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.664 -13.308 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.279 -14.156 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.977 -12.875 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.538 -12.803 8.175 1.00 0.00 H new ATOM 629 N GLN A 118 -2.318 -11.515 4.329 1.00 0.00 N ATOM 630 CA GLN A 118 -1.904 -11.417 2.934 1.00 0.00 C ATOM 631 C GLN A 118 -0.727 -10.460 2.781 1.00 0.00 C ATOM 632 O GLN A 118 0.270 -10.785 2.136 1.00 0.00 O ATOM 633 CB GLN A 118 -3.074 -10.951 2.065 1.00 0.00 C ATOM 634 CG GLN A 118 -3.954 -12.086 1.568 1.00 0.00 C ATOM 635 CD GLN A 118 -4.847 -11.671 0.416 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.479 -10.822 -0.396 1.00 0.00 O ATOM 637 NE2 GLN A 118 -6.030 -12.269 0.339 1.00 0.00 N ATOM 0 H GLN A 118 -3.275 -11.209 4.508 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.588 -12.407 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.685 -10.253 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.683 -10.404 1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.324 -12.918 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.572 -12.448 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.295 -12.967 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.674 -12.030 -0.415 1.00 0.00 H new ATOM 646 N ILE A 119 -0.851 -9.279 3.376 1.00 0.00 N ATOM 647 CA ILE A 119 0.204 -8.274 3.306 1.00 0.00 C ATOM 648 C ILE A 119 1.520 -8.820 3.848 1.00 0.00 C ATOM 649 O ILE A 119 2.542 -8.799 3.163 1.00 0.00 O ATOM 650 CB ILE A 119 -0.175 -7.005 4.091 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.378 -6.317 3.442 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.010 -6.054 4.164 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.025 -5.273 4.324 1.00 0.00 C ATOM 0 H ILE A 119 -1.671 -8.994 3.912 1.00 0.00 H new ATOM 0 HA ILE A 119 0.326 -8.017 2.254 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.449 -7.292 5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.059 -5.848 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.120 -7.071 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.726 -5.162 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.842 -6.547 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.312 -5.771 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.870 -4.827 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.375 -5.740 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.297 -4.498 4.564 1.00 0.00 H new ATOM 665 N SER A 120 1.487 -9.312 5.083 1.00 0.00 N ATOM 666 CA SER A 120 2.678 -9.862 5.719 1.00 0.00 C ATOM 667 C SER A 120 3.387 -10.841 4.788 1.00 0.00 C ATOM 668 O SER A 120 4.583 -10.711 4.527 1.00 0.00 O ATOM 669 CB SER A 120 2.306 -10.563 7.027 1.00 0.00 C ATOM 670 OG SER A 120 1.370 -11.602 6.801 1.00 0.00 O ATOM 0 H SER A 120 0.648 -9.341 5.663 1.00 0.00 H new ATOM 0 HA SER A 120 3.357 -9.038 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.203 -10.972 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.888 -9.838 7.725 1.00 0.00 H new ATOM 0 HG SER A 120 0.728 -11.321 6.116 1.00 0.00 H new ATOM 676 N SER A 121 2.641 -11.822 4.291 1.00 0.00 N ATOM 677 CA SER A 121 3.197 -12.826 3.392 1.00 0.00 C ATOM 678 C SER A 121 3.929 -12.167 2.227 1.00 0.00 C ATOM 679 O SER A 121 5.118 -12.403 2.012 1.00 0.00 O ATOM 680 CB SER A 121 2.089 -13.738 2.862 1.00 0.00 C ATOM 681 OG SER A 121 2.586 -14.626 1.876 1.00 0.00 O ATOM 0 H SER A 121 1.649 -11.943 4.496 1.00 0.00 H new ATOM 0 HA SER A 121 3.912 -13.425 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.658 -14.308 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.287 -13.133 2.439 1.00 0.00 H new ATOM 0 HG SER A 121 1.858 -15.199 1.555 1.00 0.00 H new ATOM 687 N LYS A 122 3.210 -11.338 1.478 1.00 0.00 N ATOM 688 CA LYS A 122 3.789 -10.642 0.335 1.00 0.00 C ATOM 689 C LYS A 122 5.146 -10.044 0.692 1.00 0.00 C ATOM 690 O LYS A 122 6.171 -10.430 0.132 1.00 0.00 O ATOM 691 CB LYS A 122 2.844 -9.539 -0.148 1.00 0.00 C ATOM 692 CG LYS A 122 1.820 -10.017 -1.163 1.00 0.00 C ATOM 693 CD LYS A 122 0.557 -9.172 -1.120 1.00 0.00 C ATOM 694 CE LYS A 122 -0.649 -9.948 -1.626 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.619 -10.119 -3.105 1.00 0.00 N ATOM 0 H LYS A 122 2.225 -11.132 1.642 1.00 0.00 H new ATOM 0 HA LYS A 122 3.931 -11.367 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.322 -9.117 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.433 -8.735 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.252 -9.978 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.569 -11.059 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.375 -8.840 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.696 -8.277 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.677 -10.927 -1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.562 -9.427 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.458 -10.653 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.618 -9.185 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.240 -10.639 -3.377 1.00 0.00 H new ATOM 709 N MET A 123 5.143 -9.100 1.627 1.00 0.00 N ATOM 710 CA MET A 123 6.375 -8.451 2.061 1.00 0.00 C ATOM 711 C MET A 123 7.515 -9.460 2.160 1.00 0.00 C ATOM 712 O MET A 123 8.557 -9.298 1.525 1.00 0.00 O ATOM 713 CB MET A 123 6.167 -7.763 3.411 1.00 0.00 C ATOM 714 CG MET A 123 5.239 -6.561 3.345 1.00 0.00 C ATOM 715 SD MET A 123 6.119 -5.023 3.012 1.00 0.00 S ATOM 716 CE MET A 123 7.151 -4.901 4.470 1.00 0.00 C ATOM 0 H MET A 123 4.302 -8.767 2.099 1.00 0.00 H new ATOM 0 HA MET A 123 6.642 -7.700 1.317 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.762 -8.486 4.119 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.134 -7.444 3.800 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.494 -6.725 2.567 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.700 -6.470 4.288 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.969 -3.948 4.966 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.913 -5.716 5.153 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.200 -4.965 4.180 1.00 0.00 H new ATOM 726 N ARG A 124 7.310 -10.500 2.962 1.00 0.00 N ATOM 727 CA ARG A 124 8.322 -11.534 3.146 1.00 0.00 C ATOM 728 C ARG A 124 8.923 -11.950 1.806 1.00 0.00 C ATOM 729 O ARG A 124 10.135 -12.128 1.688 1.00 0.00 O ATOM 730 CB ARG A 124 7.716 -12.751 3.846 1.00 0.00 C ATOM 731 CG ARG A 124 7.568 -12.579 5.348 1.00 0.00 C ATOM 732 CD ARG A 124 7.230 -13.896 6.030 1.00 0.00 C ATOM 733 NE ARG A 124 5.798 -14.182 5.987 1.00 0.00 N ATOM 734 CZ ARG A 124 5.190 -15.016 6.823 1.00 0.00 C ATOM 735 NH1 ARG A 124 5.885 -15.642 7.763 1.00 0.00 N ATOM 736 NH2 ARG A 124 3.884 -15.225 6.721 1.00 0.00 N ATOM 0 H ARG A 124 6.453 -10.649 3.494 1.00 0.00 H new ATOM 0 HA ARG A 124 9.117 -11.124 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 124 6.737 -12.957 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.341 -13.622 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.494 -12.181 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.786 -11.849 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.776 -14.706 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.562 -13.863 7.068 1.00 0.00 H new ATOM 0 HE ARG A 124 5.234 -13.716 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 124 6.889 -15.484 7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.415 -16.282 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.345 -14.745 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.418 -15.866 7.364 1.00 0.00 H new ATOM 750 N GLU A 125 8.067 -12.104 0.801 1.00 0.00 N ATOM 751 CA GLU A 125 8.514 -12.502 -0.528 1.00 0.00 C ATOM 752 C GLU A 125 9.321 -11.386 -1.187 1.00 0.00 C ATOM 753 O GLU A 125 10.406 -11.620 -1.720 1.00 0.00 O ATOM 754 CB GLU A 125 7.315 -12.865 -1.407 1.00 0.00 C ATOM 755 CG GLU A 125 6.633 -14.160 -1.000 1.00 0.00 C ATOM 756 CD GLU A 125 7.525 -15.372 -1.184 1.00 0.00 C ATOM 757 OE1 GLU A 125 8.227 -15.440 -2.215 1.00 0.00 O ATOM 758 OE2 GLU A 125 7.522 -16.252 -0.298 1.00 0.00 O ATOM 0 H GLU A 125 7.061 -11.959 0.882 1.00 0.00 H new ATOM 0 HA GLU A 125 9.155 -13.377 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.588 -12.054 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.646 -12.948 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.328 -14.093 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.725 -14.289 -1.589 1.00 0.00 H new ATOM 765 N LYS A 126 8.783 -10.172 -1.146 1.00 0.00 N ATOM 766 CA LYS A 126 9.451 -9.018 -1.737 1.00 0.00 C ATOM 767 C LYS A 126 10.884 -8.899 -1.227 1.00 0.00 C ATOM 768 O LYS A 126 11.796 -8.565 -1.982 1.00 0.00 O ATOM 769 CB LYS A 126 8.677 -7.737 -1.419 1.00 0.00 C ATOM 770 CG LYS A 126 7.170 -7.923 -1.410 1.00 0.00 C ATOM 771 CD LYS A 126 6.699 -8.717 -2.616 1.00 0.00 C ATOM 772 CE LYS A 126 7.189 -8.099 -3.917 1.00 0.00 C ATOM 773 NZ LYS A 126 6.244 -8.349 -5.040 1.00 0.00 N ATOM 0 H LYS A 126 7.886 -9.961 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 126 9.479 -9.159 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.994 -7.363 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 126 8.936 -6.974 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.871 -8.436 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.682 -6.948 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.060 -9.743 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.610 -8.762 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.318 -7.025 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.168 -8.509 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.614 -7.912 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.140 -9.374 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.317 -7.936 -4.812 1.00 0.00 H new ATOM 787 N GLY A 127 11.075 -9.175 0.060 1.00 0.00 N ATOM 788 CA GLY A 127 12.399 -9.094 0.647 1.00 0.00 C ATOM 789 C GLY A 127 12.394 -8.405 1.997 1.00 0.00 C ATOM 790 O GLY A 127 13.375 -7.767 2.381 1.00 0.00 O ATOM 0 H GLY A 127 10.336 -9.453 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.806 -10.099 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.061 -8.554 -0.030 1.00 0.00 H new ATOM 794 N PHE A 128 11.285 -8.530 2.719 1.00 0.00 N ATOM 795 CA PHE A 128 11.155 -7.912 4.033 1.00 0.00 C ATOM 796 C PHE A 128 10.426 -8.839 5.001 1.00 0.00 C ATOM 797 O PHE A 128 9.212 -9.024 4.905 1.00 0.00 O ATOM 798 CB PHE A 128 10.406 -6.582 3.922 1.00 0.00 C ATOM 799 CG PHE A 128 11.063 -5.600 2.995 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.410 -5.301 3.121 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.333 -4.975 1.996 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.018 -4.399 2.269 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.935 -4.072 1.141 1.00 0.00 C ATOM 804 CZ PHE A 128 12.279 -3.782 1.278 1.00 0.00 C ATOM 0 H PHE A 128 10.464 -9.054 2.416 1.00 0.00 H new ATOM 0 HA PHE A 128 12.157 -7.727 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.391 -6.774 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.325 -6.136 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.992 -5.779 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.282 -5.196 1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.069 -4.177 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.355 -3.593 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.751 -3.075 0.612 1.00 0.00 H new ATOM 814 N ASP A 129 11.175 -9.419 5.932 1.00 0.00 N ATOM 815 CA ASP A 129 10.601 -10.327 6.919 1.00 0.00 C ATOM 816 C ASP A 129 10.103 -9.559 8.139 1.00 0.00 C ATOM 817 O ASP A 129 10.893 -9.130 8.980 1.00 0.00 O ATOM 818 CB ASP A 129 11.634 -11.371 7.344 1.00 0.00 C ATOM 819 CG ASP A 129 10.997 -12.689 7.740 1.00 0.00 C ATOM 820 OD1 ASP A 129 10.284 -12.719 8.765 1.00 0.00 O ATOM 821 OD2 ASP A 129 11.211 -13.689 7.024 1.00 0.00 O ATOM 0 H ASP A 129 12.181 -9.277 6.024 1.00 0.00 H new ATOM 0 HA ASP A 129 9.752 -10.834 6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.333 -11.540 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.213 -10.984 8.183 1.00 0.00 H new ATOM 826 N ARG A 130 8.788 -9.389 8.229 1.00 0.00 N ATOM 827 CA ARG A 130 8.185 -8.671 9.345 1.00 0.00 C ATOM 828 C ARG A 130 6.873 -9.326 9.768 1.00 0.00 C ATOM 829 O ARG A 130 6.011 -9.606 8.936 1.00 0.00 O ATOM 830 CB ARG A 130 7.938 -7.210 8.966 1.00 0.00 C ATOM 831 CG ARG A 130 9.148 -6.314 9.173 1.00 0.00 C ATOM 832 CD ARG A 130 9.336 -5.962 10.641 1.00 0.00 C ATOM 833 NE ARG A 130 10.084 -6.990 11.359 1.00 0.00 N ATOM 834 CZ ARG A 130 11.407 -7.103 11.313 1.00 0.00 C ATOM 835 NH1 ARG A 130 12.123 -6.255 10.587 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.016 -8.064 11.994 1.00 0.00 N ATOM 0 H ARG A 130 8.120 -9.739 7.542 1.00 0.00 H new ATOM 0 HA ARG A 130 8.878 -8.709 10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.635 -7.161 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.107 -6.826 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.041 -6.815 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.029 -5.400 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.860 -5.010 10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.361 -5.829 11.110 1.00 0.00 H new ATOM 0 HE ARG A 130 9.562 -7.658 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.658 -5.514 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 130 13.139 -6.344 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.469 -8.718 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.032 -8.150 11.958 1.00 0.00 H new ATOM 850 N SER A 131 6.731 -9.568 11.067 1.00 0.00 N ATOM 851 CA SER A 131 5.527 -10.194 11.601 1.00 0.00 C ATOM 852 C SER A 131 4.275 -9.478 11.101 1.00 0.00 C ATOM 853 O SER A 131 4.308 -8.306 10.725 1.00 0.00 O ATOM 854 CB SER A 131 5.557 -10.186 13.130 1.00 0.00 C ATOM 855 OG SER A 131 6.379 -11.227 13.629 1.00 0.00 O ATOM 0 H SER A 131 7.435 -9.340 11.769 1.00 0.00 H new ATOM 0 HA SER A 131 5.498 -11.226 11.251 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.927 -9.224 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.545 -10.300 13.517 1.00 0.00 H new ATOM 0 HG SER A 131 6.383 -11.200 14.609 1.00 0.00 H new ATOM 861 N PRO A 132 3.144 -10.199 11.098 1.00 0.00 N ATOM 862 CA PRO A 132 1.860 -9.654 10.648 1.00 0.00 C ATOM 863 C PRO A 132 1.306 -8.607 11.609 1.00 0.00 C ATOM 864 O PRO A 132 0.936 -7.506 11.199 1.00 0.00 O ATOM 865 CB PRO A 132 0.947 -10.882 10.610 1.00 0.00 C ATOM 866 CG PRO A 132 1.546 -11.830 11.591 1.00 0.00 C ATOM 867 CD PRO A 132 3.032 -11.601 11.533 1.00 0.00 C ATOM 0 HA PRO A 132 1.948 -9.142 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.076 -10.623 10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.910 -11.317 9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.162 -11.648 12.595 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.300 -12.861 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.501 -11.759 12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.516 -12.280 10.831 1.00 0.00 H new ATOM 875 N THR A 133 1.250 -8.957 12.890 1.00 0.00 N ATOM 876 CA THR A 133 0.741 -8.049 13.909 1.00 0.00 C ATOM 877 C THR A 133 1.512 -6.734 13.909 1.00 0.00 C ATOM 878 O THR A 133 0.945 -5.671 14.158 1.00 0.00 O ATOM 879 CB THR A 133 0.821 -8.677 15.313 1.00 0.00 C ATOM 880 OG1 THR A 133 0.691 -10.100 15.221 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.268 -8.121 16.218 1.00 0.00 C ATOM 0 H THR A 133 1.551 -9.864 13.246 1.00 0.00 H new ATOM 0 HA THR A 133 -0.303 -7.855 13.665 1.00 0.00 H new ATOM 0 HB THR A 133 1.791 -8.428 15.743 1.00 0.00 H new ATOM 0 HG1 THR A 133 0.745 -10.492 16.118 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.191 -8.580 17.204 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.149 -7.041 16.310 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.245 -8.343 15.790 1.00 0.00 H new ATOM 889 N MET A 134 2.809 -6.814 13.627 1.00 0.00 N ATOM 890 CA MET A 134 3.657 -5.629 13.593 1.00 0.00 C ATOM 891 C MET A 134 3.081 -4.574 12.654 1.00 0.00 C ATOM 892 O MET A 134 2.860 -3.430 13.051 1.00 0.00 O ATOM 893 CB MET A 134 5.074 -6.002 13.151 1.00 0.00 C ATOM 894 CG MET A 134 5.820 -6.857 14.163 1.00 0.00 C ATOM 895 SD MET A 134 6.418 -5.903 15.571 1.00 0.00 S ATOM 896 CE MET A 134 7.869 -5.127 14.863 1.00 0.00 C ATOM 0 H MET A 134 3.295 -7.687 13.419 1.00 0.00 H new ATOM 0 HA MET A 134 3.695 -5.212 14.599 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.021 -6.538 12.203 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.642 -5.089 12.970 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.162 -7.649 14.519 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.664 -7.341 13.672 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.730 -5.311 15.505 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.058 -5.544 13.874 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.703 -4.053 14.778 1.00 0.00 H new ATOM 906 N CYS A 135 2.840 -4.967 11.408 1.00 0.00 N ATOM 907 CA CYS A 135 2.290 -4.054 10.411 1.00 0.00 C ATOM 908 C CYS A 135 0.926 -3.531 10.848 1.00 0.00 C ATOM 909 O CYS A 135 0.584 -2.373 10.603 1.00 0.00 O ATOM 910 CB CYS A 135 2.172 -4.755 9.057 1.00 0.00 C ATOM 911 SG CYS A 135 3.759 -5.217 8.324 1.00 0.00 S ATOM 0 H CYS A 135 3.016 -5.911 11.064 1.00 0.00 H new ATOM 0 HA CYS A 135 2.970 -3.207 10.315 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.564 -5.652 9.176 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.642 -4.100 8.366 1.00 0.00 H new ATOM 0 HG CYS A 135 4.701 -4.476 8.826 1.00 0.00 H new ATOM 917 N THR A 136 0.146 -4.393 11.495 1.00 0.00 N ATOM 918 CA THR A 136 -1.182 -4.019 11.963 1.00 0.00 C ATOM 919 C THR A 136 -1.113 -2.844 12.932 1.00 0.00 C ATOM 920 O THR A 136 -1.771 -1.823 12.732 1.00 0.00 O ATOM 921 CB THR A 136 -1.887 -5.201 12.655 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.338 -6.143 11.676 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.068 -4.717 13.483 1.00 0.00 C ATOM 0 H THR A 136 0.412 -5.355 11.706 1.00 0.00 H new ATOM 0 HA THR A 136 -1.757 -3.727 11.084 1.00 0.00 H new ATOM 0 HB THR A 136 -1.171 -5.684 13.320 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.885 -5.682 11.006 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.550 -5.569 13.962 1.00 0.00 H new ATOM 0 HG22 THR A 136 -2.717 -4.022 14.246 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.784 -4.212 12.835 1.00 0.00 H new ATOM 931 N ASP A 137 -0.313 -2.996 13.982 1.00 0.00 N ATOM 932 CA ASP A 137 -0.157 -1.946 14.982 1.00 0.00 C ATOM 933 C ASP A 137 0.524 -0.720 14.381 1.00 0.00 C ATOM 934 O ASP A 137 0.044 0.404 14.527 1.00 0.00 O ATOM 935 CB ASP A 137 0.653 -2.463 16.172 1.00 0.00 C ATOM 936 CG ASP A 137 0.299 -1.754 17.464 1.00 0.00 C ATOM 937 OD1 ASP A 137 0.927 -0.717 17.763 1.00 0.00 O ATOM 938 OD2 ASP A 137 -0.606 -2.236 18.178 1.00 0.00 O ATOM 0 H ASP A 137 0.237 -3.836 14.163 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.149 -1.655 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.480 -3.533 16.289 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.716 -2.333 15.969 1.00 0.00 H new ATOM 943 N LYS A 138 1.646 -0.945 13.705 1.00 0.00 N ATOM 944 CA LYS A 138 2.394 0.141 13.082 1.00 0.00 C ATOM 945 C LYS A 138 1.485 0.993 12.202 1.00 0.00 C ATOM 946 O LYS A 138 1.551 2.222 12.232 1.00 0.00 O ATOM 947 CB LYS A 138 3.548 -0.421 12.249 1.00 0.00 C ATOM 948 CG LYS A 138 4.255 0.626 11.405 1.00 0.00 C ATOM 949 CD LYS A 138 4.931 1.676 12.271 1.00 0.00 C ATOM 950 CE LYS A 138 6.105 2.321 11.550 1.00 0.00 C ATOM 951 NZ LYS A 138 7.108 2.870 12.504 1.00 0.00 N ATOM 0 H LYS A 138 2.057 -1.869 13.575 1.00 0.00 H new ATOM 0 HA LYS A 138 2.798 0.772 13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.273 -0.888 12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.165 -1.205 11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.998 0.142 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.536 1.107 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.207 2.442 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.279 1.217 13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.583 1.585 10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.740 3.121 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.892 3.301 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.658 3.591 13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.475 2.102 13.102 1.00 0.00 H new ATOM 965 N TRP A 139 0.637 0.333 11.421 1.00 0.00 N ATOM 966 CA TRP A 139 -0.286 1.031 10.534 1.00 0.00 C ATOM 967 C TRP A 139 -1.195 1.968 11.322 1.00 0.00 C ATOM 968 O TRP A 139 -1.281 3.159 11.024 1.00 0.00 O ATOM 969 CB TRP A 139 -1.128 0.025 9.747 1.00 0.00 C ATOM 970 CG TRP A 139 -2.164 0.670 8.876 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.517 0.645 9.056 1.00 0.00 C ATOM 972 CD2 TRP A 139 -1.929 1.433 7.687 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.138 1.347 8.051 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.186 1.841 7.199 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.780 1.812 6.989 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.323 2.608 6.046 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -0.917 2.573 5.844 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.181 2.965 5.382 1.00 0.00 C ATOM 0 H TRP A 139 0.570 -0.684 11.384 1.00 0.00 H new ATOM 0 HA TRP A 139 0.301 1.628 9.836 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.469 -0.583 9.127 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.621 -0.651 10.446 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.025 0.147 9.869 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.145 1.479 7.955 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.198 1.515 7.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.296 2.911 5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.035 2.871 5.296 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.255 3.561 4.484 1.00 0.00 H new ATOM 989 N ARG A 140 -1.871 1.422 12.327 1.00 0.00 N ATOM 990 CA ARG A 140 -2.774 2.210 13.157 1.00 0.00 C ATOM 991 C ARG A 140 -2.119 3.521 13.580 1.00 0.00 C ATOM 992 O ARG A 140 -2.743 4.581 13.537 1.00 0.00 O ATOM 993 CB ARG A 140 -3.190 1.413 14.394 1.00 0.00 C ATOM 994 CG ARG A 140 -4.412 0.536 14.172 1.00 0.00 C ATOM 995 CD ARG A 140 -5.105 0.202 15.484 1.00 0.00 C ATOM 996 NE ARG A 140 -5.965 1.291 15.940 1.00 0.00 N ATOM 997 CZ ARG A 140 -7.208 1.476 15.508 1.00 0.00 C ATOM 998 NH1 ARG A 140 -7.733 0.649 14.615 1.00 0.00 N ATOM 999 NH2 ARG A 140 -7.928 2.490 15.971 1.00 0.00 N ATOM 0 H ARG A 140 -1.811 0.437 12.586 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.661 2.441 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.356 0.786 14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.394 2.106 15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.111 1.046 13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.114 -0.386 13.672 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.700 -0.703 15.360 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.355 -0.012 16.246 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.591 1.945 16.628 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.183 -0.132 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.687 0.793 14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.527 3.128 16.659 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.882 2.632 15.639 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.857 3.441 13.990 1.00 0.00 N ATOM 1014 CA ASN A 141 -0.117 4.621 14.422 1.00 0.00 C ATOM 1015 C ASN A 141 0.051 5.609 13.272 1.00 0.00 C ATOM 1016 O ASN A 141 -0.047 6.822 13.462 1.00 0.00 O ATOM 1017 CB ASN A 141 1.254 4.218 14.967 1.00 0.00 C ATOM 1018 CG ASN A 141 1.755 5.171 16.035 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.518 6.377 15.967 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.452 4.632 17.029 1.00 0.00 N ATOM 0 H ASN A 141 -0.326 2.571 14.032 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.687 5.106 15.214 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.196 3.211 15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.972 4.185 14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.815 5.223 17.777 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.624 3.627 17.045 1.00 0.00 H new ATOM 1027 N LEU A 142 0.304 5.082 12.079 1.00 0.00 N ATOM 1028 CA LEU A 142 0.486 5.917 10.897 1.00 0.00 C ATOM 1029 C LEU A 142 -0.768 6.740 10.614 1.00 0.00 C ATOM 1030 O LEU A 142 -0.688 7.856 10.098 1.00 0.00 O ATOM 1031 CB LEU A 142 0.825 5.050 9.683 1.00 0.00 C ATOM 1032 CG LEU A 142 2.278 4.586 9.575 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.417 3.512 8.508 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.193 5.764 9.272 1.00 0.00 C ATOM 0 H LEU A 142 0.388 4.080 11.905 1.00 0.00 H new ATOM 0 HA LEU A 142 1.312 6.601 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.183 4.169 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.575 5.609 8.781 1.00 0.00 H new ATOM 0 HG LEU A 142 2.575 4.158 10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.458 3.194 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.792 2.658 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.102 3.913 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.223 5.415 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.897 6.221 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.115 6.500 10.072 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.924 6.183 10.956 1.00 0.00 N ATOM 1047 CA LEU A 143 -3.195 6.866 10.741 1.00 0.00 C ATOM 1048 C LEU A 143 -3.392 7.983 11.761 1.00 0.00 C ATOM 1049 O LEU A 143 -3.899 9.056 11.432 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.353 5.870 10.829 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.193 4.582 10.021 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.321 3.611 10.335 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.152 4.889 8.531 1.00 0.00 C ATOM 0 H LEU A 143 -2.008 5.261 11.383 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.178 7.307 9.745 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.497 5.603 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.263 6.371 10.499 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.249 4.115 10.302 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.190 2.700 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.305 3.366 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.277 4.070 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.038 3.961 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.079 5.379 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.310 5.547 8.318 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.986 7.726 12.999 1.00 0.00 N ATOM 1066 CA LYS A 144 -3.114 8.710 14.067 1.00 0.00 C ATOM 1067 C LYS A 144 -2.158 9.878 13.848 1.00 0.00 C ATOM 1068 O LYS A 144 -2.426 10.999 14.278 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.837 8.059 15.425 1.00 0.00 C ATOM 1070 CG LYS A 144 -3.246 8.920 16.607 1.00 0.00 C ATOM 1071 CD LYS A 144 -4.742 8.845 16.861 1.00 0.00 C ATOM 1072 CE LYS A 144 -5.081 9.198 18.302 1.00 0.00 C ATOM 1073 NZ LYS A 144 -4.980 10.662 18.552 1.00 0.00 N ATOM 0 H LYS A 144 -2.565 6.843 13.288 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.135 9.091 14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.368 7.108 15.478 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.773 7.835 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.708 8.596 17.498 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.959 9.955 16.421 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.261 9.526 16.187 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.100 7.840 16.637 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.091 8.859 18.531 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.407 8.667 18.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.218 10.862 19.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.009 10.981 18.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.642 11.167 17.929 1.00 0.00 H new ATOM 1087 N GLU A 145 -1.044 9.607 13.175 1.00 0.00 N ATOM 1088 CA GLU A 145 -0.050 10.638 12.899 1.00 0.00 C ATOM 1089 C GLU A 145 -0.317 11.305 11.553 1.00 0.00 C ATOM 1090 O GLU A 145 -0.082 12.501 11.383 1.00 0.00 O ATOM 1091 CB GLU A 145 1.357 10.036 12.912 1.00 0.00 C ATOM 1092 CG GLU A 145 1.643 9.130 11.727 1.00 0.00 C ATOM 1093 CD GLU A 145 1.857 9.902 10.440 1.00 0.00 C ATOM 1094 OE1 GLU A 145 2.564 10.931 10.475 1.00 0.00 O ATOM 1095 OE2 GLU A 145 1.316 9.477 9.397 1.00 0.00 O ATOM 0 H GLU A 145 -0.807 8.684 12.811 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.122 11.395 13.680 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.088 10.844 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.492 9.469 13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.529 8.531 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.812 8.436 11.596 1.00 0.00 H new