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 Set 1.1: A 102 MET CE :methyl 161:sc= -2.52! (180deg=-1.74) USER MOD Set 1.2: A 118 GLN : amide:sc= -1.8! K(o=-4.3!,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.9) USER MOD Single : A 120 SER OG : rot -37:sc= 0.162 USER MOD Single : A 121 SER OG : rot -29:sc= 0.484 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -122:sc= 0 (180deg=-0.588) USER MOD Single : A 126 LYS NZ :NH3+ -156:sc= -0.0861 (180deg=-0.416) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 134 MET CE :methyl -116:sc= -0.892 (180deg=-3.45!) USER MOD Single : A 135 CYS SG : rot -16:sc= -0.735! USER MOD Single : A 136 THR OG1 : rot -52:sc= 1.65 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 144 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00576) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.572 -0.004 12.776 1.00 0.00 N ATOM 109 CA TRP A 87 11.334 -0.137 11.343 1.00 0.00 C ATOM 110 C TRP A 87 12.259 0.779 10.550 1.00 0.00 C ATOM 111 O TRP A 87 12.740 1.789 11.065 1.00 0.00 O ATOM 112 CB TRP A 87 9.875 0.186 11.016 1.00 0.00 C ATOM 113 CG TRP A 87 8.936 -0.943 11.315 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.523 -1.361 12.549 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.294 -1.800 10.364 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.664 -2.426 12.421 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.507 -2.714 11.091 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.308 -1.883 8.969 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.742 -3.697 10.469 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.549 -2.860 8.353 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.774 -3.756 9.102 1.00 0.00 C ATOM 0 HA TRP A 87 11.544 -1.168 11.059 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.569 1.064 11.584 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.795 0.446 9.960 1.00 0.00 H new ATOM 0 HD1 TRP A 87 8.827 -0.919 13.487 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.216 -2.922 13.192 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.901 -1.196 8.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.145 -4.388 11.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.553 -2.934 7.276 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.191 -4.507 8.591 1.00 0.00 H new ATOM 132 N VAL A 88 12.506 0.421 9.294 1.00 0.00 N ATOM 133 CA VAL A 88 13.373 1.213 8.429 1.00 0.00 C ATOM 134 C VAL A 88 12.593 1.802 7.259 1.00 0.00 C ATOM 135 O VAL A 88 11.693 1.163 6.716 1.00 0.00 O ATOM 136 CB VAL A 88 14.540 0.369 7.881 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.278 -0.322 9.017 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.033 -0.646 6.868 1.00 0.00 C ATOM 0 H VAL A 88 12.118 -0.413 8.852 1.00 0.00 H new ATOM 0 HA VAL A 88 13.774 2.023 9.038 1.00 0.00 H new ATOM 0 HB VAL A 88 15.241 1.033 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.099 -0.913 8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.675 0.427 9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.590 -0.976 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.870 -1.233 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.311 -1.308 7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.554 -0.125 6.039 1.00 0.00 H new ATOM 148 N GLN A 89 12.946 3.025 6.877 1.00 0.00 N ATOM 149 CA GLN A 89 12.278 3.701 5.771 1.00 0.00 C ATOM 150 C GLN A 89 11.922 2.714 4.664 1.00 0.00 C ATOM 151 O GLN A 89 10.828 2.764 4.103 1.00 0.00 O ATOM 152 CB GLN A 89 13.169 4.812 5.212 1.00 0.00 C ATOM 153 CG GLN A 89 12.575 5.520 4.005 1.00 0.00 C ATOM 154 CD GLN A 89 13.114 6.925 3.828 1.00 0.00 C ATOM 155 OE1 GLN A 89 13.992 7.166 2.999 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.591 7.863 4.609 1.00 0.00 N ATOM 0 H GLN A 89 13.690 3.567 7.316 1.00 0.00 H new ATOM 0 HA GLN A 89 11.356 4.140 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.357 5.545 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.134 4.387 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.786 4.938 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.491 5.562 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.865 7.619 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.915 8.827 4.535 1.00 0.00 H new ATOM 165 N ASP A 90 12.853 1.818 4.356 1.00 0.00 N ATOM 166 CA ASP A 90 12.637 0.817 3.317 1.00 0.00 C ATOM 167 C ASP A 90 11.335 0.059 3.555 1.00 0.00 C ATOM 168 O ASP A 90 10.380 0.192 2.792 1.00 0.00 O ATOM 169 CB ASP A 90 13.811 -0.162 3.270 1.00 0.00 C ATOM 170 CG ASP A 90 15.147 0.525 3.477 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.411 1.529 2.783 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.927 0.059 4.334 1.00 0.00 O ATOM 0 H ASP A 90 13.764 1.764 4.811 1.00 0.00 H new ATOM 0 HA ASP A 90 12.566 1.333 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.675 -0.925 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.815 -0.675 2.308 1.00 0.00 H new ATOM 177 N GLU A 91 11.307 -0.738 4.620 1.00 0.00 N ATOM 178 CA GLU A 91 10.123 -1.519 4.957 1.00 0.00 C ATOM 179 C GLU A 91 8.894 -0.621 5.076 1.00 0.00 C ATOM 180 O GLU A 91 7.910 -0.797 4.357 1.00 0.00 O ATOM 181 CB GLU A 91 10.342 -2.279 6.266 1.00 0.00 C ATOM 182 CG GLU A 91 11.427 -3.339 6.181 1.00 0.00 C ATOM 183 CD GLU A 91 11.882 -3.819 7.546 1.00 0.00 C ATOM 184 OE1 GLU A 91 12.140 -2.966 8.420 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.980 -5.049 7.739 1.00 0.00 O ATOM 0 H GLU A 91 12.090 -0.859 5.263 1.00 0.00 H new ATOM 0 HA GLU A 91 9.951 -2.236 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.602 -1.568 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.406 -2.752 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.056 -4.188 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.282 -2.936 5.638 1.00 0.00 H new ATOM 192 N THR A 92 8.959 0.342 5.990 1.00 0.00 N ATOM 193 CA THR A 92 7.853 1.266 6.206 1.00 0.00 C ATOM 194 C THR A 92 7.217 1.681 4.884 1.00 0.00 C ATOM 195 O THR A 92 6.001 1.591 4.715 1.00 0.00 O ATOM 196 CB THR A 92 8.315 2.529 6.958 1.00 0.00 C ATOM 197 OG1 THR A 92 9.198 2.167 8.026 1.00 0.00 O ATOM 198 CG2 THR A 92 7.123 3.293 7.515 1.00 0.00 C ATOM 0 H THR A 92 9.766 0.502 6.593 1.00 0.00 H new ATOM 0 HA THR A 92 7.116 0.740 6.812 1.00 0.00 H new ATOM 0 HB THR A 92 8.842 3.173 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.489 2.975 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.474 4.181 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.468 3.592 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.572 2.655 8.206 1.00 0.00 H new ATOM 206 N ARG A 93 8.047 2.133 3.950 1.00 0.00 N ATOM 207 CA ARG A 93 7.564 2.562 2.642 1.00 0.00 C ATOM 208 C ARG A 93 6.799 1.438 1.950 1.00 0.00 C ATOM 209 O ARG A 93 5.637 1.602 1.578 1.00 0.00 O ATOM 210 CB ARG A 93 8.734 3.012 1.766 1.00 0.00 C ATOM 211 CG ARG A 93 8.354 4.060 0.733 1.00 0.00 C ATOM 212 CD ARG A 93 7.855 3.420 -0.553 1.00 0.00 C ATOM 213 NE ARG A 93 8.933 2.777 -1.299 1.00 0.00 N ATOM 214 CZ ARG A 93 8.755 2.157 -2.460 1.00 0.00 C ATOM 215 NH1 ARG A 93 7.548 2.096 -3.005 1.00 0.00 N ATOM 216 NH2 ARG A 93 9.787 1.596 -3.078 1.00 0.00 N ATOM 0 H ARG A 93 9.056 2.212 4.074 1.00 0.00 H new ATOM 0 HA ARG A 93 6.886 3.402 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.522 3.412 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.149 2.143 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.580 4.711 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.218 4.689 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.088 2.683 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.385 4.180 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 93 9.874 2.806 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.753 2.526 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.415 1.619 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.717 1.641 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.650 1.120 -3.970 1.00 0.00 H new ATOM 230 N SER A 94 7.459 0.297 1.780 1.00 0.00 N ATOM 231 CA SER A 94 6.842 -0.853 1.129 1.00 0.00 C ATOM 232 C SER A 94 5.483 -1.163 1.747 1.00 0.00 C ATOM 233 O SER A 94 4.489 -1.333 1.038 1.00 0.00 O ATOM 234 CB SER A 94 7.755 -2.076 1.235 1.00 0.00 C ATOM 235 OG SER A 94 7.259 -3.152 0.458 1.00 0.00 O ATOM 0 H SER A 94 8.421 0.144 2.084 1.00 0.00 H new ATOM 0 HA SER A 94 6.695 -0.608 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.759 -1.814 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.837 -2.384 2.278 1.00 0.00 H new ATOM 0 HG SER A 94 7.861 -3.921 0.542 1.00 0.00 H new ATOM 241 N LEU A 95 5.445 -1.236 3.073 1.00 0.00 N ATOM 242 CA LEU A 95 4.208 -1.525 3.789 1.00 0.00 C ATOM 243 C LEU A 95 3.123 -0.515 3.431 1.00 0.00 C ATOM 244 O LEU A 95 2.124 -0.860 2.799 1.00 0.00 O ATOM 245 CB LEU A 95 4.454 -1.513 5.299 1.00 0.00 C ATOM 246 CG LEU A 95 3.207 -1.488 6.182 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.306 -2.672 5.868 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.595 -1.487 7.654 1.00 0.00 C ATOM 0 H LEU A 95 6.257 -1.099 3.674 1.00 0.00 H new ATOM 0 HA LEU A 95 3.868 -2.517 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.041 -2.394 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.063 -0.642 5.541 1.00 0.00 H new ATOM 0 HG LEU A 95 2.655 -0.572 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.423 -2.637 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.000 -2.629 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.848 -3.600 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.694 -1.469 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.170 -2.385 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.199 -0.606 7.870 1.00 0.00 H new ATOM 260 N ILE A 96 3.326 0.733 3.839 1.00 0.00 N ATOM 261 CA ILE A 96 2.367 1.794 3.558 1.00 0.00 C ATOM 262 C ILE A 96 1.723 1.605 2.189 1.00 0.00 C ATOM 263 O ILE A 96 0.499 1.583 2.065 1.00 0.00 O ATOM 264 CB ILE A 96 3.031 3.183 3.614 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.569 3.459 5.019 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.040 4.260 3.199 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.522 4.632 5.082 1.00 0.00 C ATOM 0 H ILE A 96 4.146 1.034 4.365 1.00 0.00 H new ATOM 0 HA ILE A 96 1.599 1.737 4.329 1.00 0.00 H new ATOM 0 HB ILE A 96 3.868 3.198 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.731 3.646 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.078 2.568 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.523 5.236 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.701 4.069 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.185 4.248 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.863 4.769 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.379 4.439 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.011 5.534 4.746 1.00 0.00 H new ATOM 279 N MET A 97 2.557 1.468 1.163 1.00 0.00 N ATOM 280 CA MET A 97 2.069 1.277 -0.198 1.00 0.00 C ATOM 281 C MET A 97 1.213 0.019 -0.297 1.00 0.00 C ATOM 282 O MET A 97 0.134 0.035 -0.890 1.00 0.00 O ATOM 283 CB MET A 97 3.242 1.188 -1.176 1.00 0.00 C ATOM 284 CG MET A 97 2.834 1.356 -2.630 1.00 0.00 C ATOM 285 SD MET A 97 4.224 1.785 -3.696 1.00 0.00 S ATOM 286 CE MET A 97 4.159 3.574 -3.633 1.00 0.00 C ATOM 0 H MET A 97 3.573 1.486 1.248 1.00 0.00 H new ATOM 0 HA MET A 97 1.452 2.137 -0.460 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.975 1.954 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.734 0.223 -1.054 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.381 0.431 -2.985 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.072 2.132 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.959 3.989 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.196 3.917 -4.013 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.282 3.906 -2.602 1.00 0.00 H new ATOM 296 N PHE A 98 1.700 -1.071 0.287 1.00 0.00 N ATOM 297 CA PHE A 98 0.980 -2.339 0.263 1.00 0.00 C ATOM 298 C PHE A 98 -0.430 -2.174 0.822 1.00 0.00 C ATOM 299 O PHE A 98 -1.403 -2.637 0.226 1.00 0.00 O ATOM 300 CB PHE A 98 1.739 -3.396 1.067 1.00 0.00 C ATOM 301 CG PHE A 98 2.743 -4.162 0.253 1.00 0.00 C ATOM 302 CD1 PHE A 98 3.419 -3.551 -0.790 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.010 -5.492 0.533 1.00 0.00 C ATOM 304 CE1 PHE A 98 4.342 -4.254 -1.541 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.933 -6.200 -0.214 1.00 0.00 C ATOM 306 CZ PHE A 98 4.601 -5.580 -1.252 1.00 0.00 C ATOM 0 H PHE A 98 2.591 -1.102 0.783 1.00 0.00 H new ATOM 0 HA PHE A 98 0.905 -2.666 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.251 -2.911 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.023 -4.096 1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.223 -2.514 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.491 -5.981 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.861 -3.767 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.132 -7.237 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.324 -6.130 -1.836 1.00 0.00 H new ATOM 316 N ARG A 99 -0.532 -1.511 1.969 1.00 0.00 N ATOM 317 CA ARG A 99 -1.822 -1.286 2.610 1.00 0.00 C ATOM 318 C ARG A 99 -2.703 -0.380 1.755 1.00 0.00 C ATOM 319 O ARG A 99 -3.905 -0.608 1.627 1.00 0.00 O ATOM 320 CB ARG A 99 -1.626 -0.666 3.995 1.00 0.00 C ATOM 321 CG ARG A 99 -2.927 -0.410 4.737 1.00 0.00 C ATOM 322 CD ARG A 99 -3.558 -1.707 5.219 1.00 0.00 C ATOM 323 NE ARG A 99 -4.627 -1.470 6.186 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.837 -1.038 5.852 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.132 -0.798 4.582 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.757 -0.846 6.789 1.00 0.00 N ATOM 0 H ARG A 99 0.263 -1.120 2.474 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.319 -2.250 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.000 -1.327 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.086 0.275 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.739 0.243 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.624 0.113 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.957 -2.255 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.792 -2.336 5.672 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.433 -1.646 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.428 -0.945 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.063 -0.466 4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.535 -1.030 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.686 -0.514 6.531 1.00 0.00 H new ATOM 340 N ARG A 100 -2.095 0.649 1.173 1.00 0.00 N ATOM 341 CA ARG A 100 -2.825 1.591 0.332 1.00 0.00 C ATOM 342 C ARG A 100 -3.418 0.886 -0.884 1.00 0.00 C ATOM 343 O ARG A 100 -4.577 1.103 -1.236 1.00 0.00 O ATOM 344 CB ARG A 100 -1.902 2.724 -0.121 1.00 0.00 C ATOM 345 CG ARG A 100 -1.532 3.690 0.993 1.00 0.00 C ATOM 346 CD ARG A 100 -0.558 4.752 0.508 1.00 0.00 C ATOM 347 NE ARG A 100 -1.182 5.679 -0.433 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.537 6.687 -1.009 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.744 6.898 -0.742 1.00 0.00 N ATOM 350 NH2 ARG A 100 -1.174 7.487 -1.854 1.00 0.00 N ATOM 0 H ARG A 100 -1.100 0.852 1.268 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.641 2.010 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.990 2.295 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.388 3.278 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.433 4.169 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.088 3.139 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.173 5.308 1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.295 4.270 0.030 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.167 5.545 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.237 6.285 -0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.237 7.673 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.160 7.328 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.678 8.261 -2.296 1.00 0.00 H new ATOM 364 N GLY A 101 -2.614 0.042 -1.524 1.00 0.00 N ATOM 365 CA GLY A 101 -3.076 -0.680 -2.694 1.00 0.00 C ATOM 366 C GLY A 101 -4.192 -1.655 -2.371 1.00 0.00 C ATOM 367 O GLY A 101 -5.183 -1.737 -3.096 1.00 0.00 O ATOM 0 H GLY A 101 -1.651 -0.154 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.425 0.032 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.240 -1.223 -3.136 1.00 0.00 H new ATOM 371 N MET A 102 -4.029 -2.396 -1.280 1.00 0.00 N ATOM 372 CA MET A 102 -5.031 -3.371 -0.863 1.00 0.00 C ATOM 373 C MET A 102 -6.172 -2.690 -0.114 1.00 0.00 C ATOM 374 O MET A 102 -7.209 -3.302 0.144 1.00 0.00 O ATOM 375 CB MET A 102 -4.392 -4.443 0.022 1.00 0.00 C ATOM 376 CG MET A 102 -3.587 -5.472 -0.755 1.00 0.00 C ATOM 377 SD MET A 102 -2.872 -6.741 0.308 1.00 0.00 S ATOM 378 CE MET A 102 -4.324 -7.293 1.201 1.00 0.00 C ATOM 0 H MET A 102 -3.214 -2.340 -0.669 1.00 0.00 H new ATOM 0 HA MET A 102 -5.438 -3.843 -1.757 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.741 -3.960 0.751 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.175 -4.954 0.582 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.230 -5.945 -1.497 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.789 -4.968 -1.299 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.132 -8.274 1.636 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.555 -6.582 1.995 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.169 -7.359 0.516 1.00 0.00 H new ATOM 388 N ASP A 103 -5.974 -1.423 0.232 1.00 0.00 N ATOM 389 CA ASP A 103 -6.988 -0.660 0.950 1.00 0.00 C ATOM 390 C ASP A 103 -8.384 -0.979 0.424 1.00 0.00 C ATOM 391 O ASP A 103 -9.322 -1.165 1.197 1.00 0.00 O ATOM 392 CB ASP A 103 -6.713 0.840 0.824 1.00 0.00 C ATOM 393 CG ASP A 103 -7.683 1.677 1.633 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.887 1.344 1.646 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.239 2.664 2.255 1.00 0.00 O ATOM 0 H ASP A 103 -5.121 -0.903 0.027 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.942 -0.943 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.695 1.049 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.774 1.131 -0.225 1.00 0.00 H new ATOM 400 N GLY A 104 -8.512 -1.041 -0.898 1.00 0.00 N ATOM 401 CA GLY A 104 -9.797 -1.337 -1.506 1.00 0.00 C ATOM 402 C GLY A 104 -10.485 -2.522 -0.858 1.00 0.00 C ATOM 403 O GLY A 104 -11.680 -2.471 -0.565 1.00 0.00 O ATOM 0 H GLY A 104 -7.749 -0.892 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.441 -0.461 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.655 -1.539 -2.568 1.00 0.00 H new ATOM 407 N LEU A 105 -9.731 -3.592 -0.635 1.00 0.00 N ATOM 408 CA LEU A 105 -10.276 -4.797 -0.020 1.00 0.00 C ATOM 409 C LEU A 105 -10.756 -4.514 1.400 1.00 0.00 C ATOM 410 O LEU A 105 -11.859 -4.904 1.783 1.00 0.00 O ATOM 411 CB LEU A 105 -9.222 -5.906 -0.002 1.00 0.00 C ATOM 412 CG LEU A 105 -8.842 -6.493 -1.361 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.503 -7.209 -1.279 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.926 -7.442 -1.854 1.00 0.00 C ATOM 0 H LEU A 105 -8.740 -3.650 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.129 -5.124 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.320 -5.514 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.585 -6.715 0.632 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.750 -5.675 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.250 -7.620 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.731 -6.503 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.567 -8.018 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.639 -7.851 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.050 -8.256 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.866 -6.900 -1.953 1.00 0.00 H new ATOM 426 N PHE A 106 -9.922 -3.831 2.176 1.00 0.00 N ATOM 427 CA PHE A 106 -10.261 -3.493 3.554 1.00 0.00 C ATOM 428 C PHE A 106 -11.670 -2.913 3.640 1.00 0.00 C ATOM 429 O PHE A 106 -12.372 -3.105 4.632 1.00 0.00 O ATOM 430 CB PHE A 106 -9.251 -2.493 4.120 1.00 0.00 C ATOM 431 CG PHE A 106 -7.927 -3.111 4.466 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.004 -3.405 3.475 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.604 -3.397 5.783 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.784 -3.973 3.791 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.385 -3.964 6.104 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.475 -4.254 5.107 1.00 0.00 C ATOM 0 H PHE A 106 -9.006 -3.500 1.874 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.226 -4.408 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.093 -1.697 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.671 -2.030 5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.241 -3.188 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.313 -3.174 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.073 -4.197 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.144 -4.180 7.134 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.523 -4.700 5.356 1.00 0.00 H new ATOM 532 N LYS A 113 -8.727 -9.147 8.540 1.00 0.00 N ATOM 533 CA LYS A 113 -7.838 -10.153 9.110 1.00 0.00 C ATOM 534 C LYS A 113 -7.013 -10.829 8.020 1.00 0.00 C ATOM 535 O LYS A 113 -5.786 -10.721 7.999 1.00 0.00 O ATOM 536 CB LYS A 113 -8.646 -11.202 9.878 1.00 0.00 C ATOM 537 CG LYS A 113 -9.380 -10.641 11.083 1.00 0.00 C ATOM 538 CD LYS A 113 -8.519 -10.692 12.334 1.00 0.00 C ATOM 539 CE LYS A 113 -9.247 -10.110 13.536 1.00 0.00 C ATOM 540 NZ LYS A 113 -8.505 -10.353 14.805 1.00 0.00 N ATOM 0 HA LYS A 113 -7.158 -9.652 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.370 -11.658 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.975 -11.995 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.673 -9.610 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -10.297 -11.207 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.239 -11.725 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.595 -10.139 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.383 -9.038 13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.241 -10.551 13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.034 -9.941 15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.397 -11.377 14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.565 -9.911 14.748 1.00 0.00 H new ATOM 554 N HIS A 114 -7.693 -11.526 7.115 1.00 0.00 N ATOM 555 CA HIS A 114 -7.022 -12.218 6.021 1.00 0.00 C ATOM 556 C HIS A 114 -6.137 -11.258 5.232 1.00 0.00 C ATOM 557 O HIS A 114 -5.096 -11.649 4.702 1.00 0.00 O ATOM 558 CB HIS A 114 -8.050 -12.864 5.091 1.00 0.00 C ATOM 559 CG HIS A 114 -8.847 -11.873 4.300 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.873 -11.128 4.842 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.763 -11.505 3.000 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.387 -10.346 3.909 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.730 -10.555 2.782 1.00 0.00 N ATOM 0 H HIS A 114 -8.708 -11.626 7.118 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.391 -12.997 6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.535 -13.535 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.731 -13.475 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.065 -11.888 2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.205 -9.654 4.045 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.912 -10.087 1.894 1.00 0.00 H new ATOM 571 N LEU A 115 -6.558 -10.000 5.157 1.00 0.00 N ATOM 572 CA LEU A 115 -5.804 -8.983 4.432 1.00 0.00 C ATOM 573 C LEU A 115 -4.451 -8.734 5.092 1.00 0.00 C ATOM 574 O LEU A 115 -3.426 -8.650 4.416 1.00 0.00 O ATOM 575 CB LEU A 115 -6.600 -7.679 4.367 1.00 0.00 C ATOM 576 CG LEU A 115 -7.910 -7.731 3.579 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.678 -6.427 3.735 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.637 -8.019 2.110 1.00 0.00 C ATOM 0 H LEU A 115 -7.417 -9.660 5.589 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.632 -9.347 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.824 -7.362 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.965 -6.910 3.927 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.522 -8.539 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.607 -6.482 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.905 -6.262 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.073 -5.601 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.580 -8.052 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.006 -7.232 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.129 -8.979 2.016 1.00 0.00 H new ATOM 590 N TRP A 116 -4.457 -8.618 6.415 1.00 0.00 N ATOM 591 CA TRP A 116 -3.230 -8.381 7.167 1.00 0.00 C ATOM 592 C TRP A 116 -2.222 -9.500 6.931 1.00 0.00 C ATOM 593 O TRP A 116 -1.067 -9.245 6.594 1.00 0.00 O ATOM 594 CB TRP A 116 -3.538 -8.261 8.660 1.00 0.00 C ATOM 595 CG TRP A 116 -3.957 -6.882 9.072 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.091 -6.539 9.750 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.247 -5.663 8.830 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.130 -5.179 9.945 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.010 -4.619 9.390 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.041 -5.351 8.196 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.604 -3.288 9.333 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.641 -4.030 8.140 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.419 -3.012 8.706 1.00 0.00 C ATOM 0 H TRP A 116 -5.297 -8.684 6.989 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.794 -7.445 6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.329 -8.965 8.918 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.655 -8.550 9.230 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.847 -7.234 10.084 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.872 -4.670 10.425 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.433 -6.129 7.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.203 -2.502 9.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.712 -3.778 7.651 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.077 -1.989 8.647 1.00 0.00 H new ATOM 614 N GLU A 117 -2.668 -10.740 7.110 1.00 0.00 N ATOM 615 CA GLU A 117 -1.802 -11.897 6.916 1.00 0.00 C ATOM 616 C GLU A 117 -1.282 -11.954 5.482 1.00 0.00 C ATOM 617 O GLU A 117 -0.151 -12.373 5.239 1.00 0.00 O ATOM 618 CB GLU A 117 -2.556 -13.187 7.248 1.00 0.00 C ATOM 619 CG GLU A 117 -3.621 -13.011 8.318 1.00 0.00 C ATOM 620 CD GLU A 117 -3.874 -14.283 9.103 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.281 -15.290 8.486 1.00 0.00 O ATOM 622 OE2 GLU A 117 -3.666 -14.272 10.335 1.00 0.00 O ATOM 0 H GLU A 117 -3.622 -10.968 7.389 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.950 -11.798 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.024 -13.568 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.841 -13.941 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.315 -12.220 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.550 -12.686 7.850 1.00 0.00 H new ATOM 629 N GLN A 118 -2.117 -11.530 4.539 1.00 0.00 N ATOM 630 CA GLN A 118 -1.742 -11.533 3.130 1.00 0.00 C ATOM 631 C GLN A 118 -0.661 -10.494 2.852 1.00 0.00 C ATOM 632 O GLN A 118 0.322 -10.776 2.166 1.00 0.00 O ATOM 633 CB GLN A 118 -2.966 -11.260 2.254 1.00 0.00 C ATOM 634 CG GLN A 118 -2.617 -10.836 0.837 1.00 0.00 C ATOM 635 CD GLN A 118 -3.750 -11.081 -0.141 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.000 -12.217 -0.547 1.00 0.00 O ATOM 637 NE2 GLN A 118 -4.442 -10.015 -0.525 1.00 0.00 N ATOM 0 H GLN A 118 -3.057 -11.180 4.725 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.344 -12.518 2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.582 -12.159 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.569 -10.481 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.360 -9.777 0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.732 -11.380 0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.200 -9.092 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.216 -10.119 -1.182 1.00 0.00 H new ATOM 646 N ILE A 119 -0.850 -9.293 3.388 1.00 0.00 N ATOM 647 CA ILE A 119 0.110 -8.213 3.197 1.00 0.00 C ATOM 648 C ILE A 119 1.486 -8.600 3.727 1.00 0.00 C ATOM 649 O ILE A 119 2.505 -8.339 3.088 1.00 0.00 O ATOM 650 CB ILE A 119 -0.351 -6.920 3.895 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.546 -6.313 3.156 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.794 -5.922 3.972 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.286 -5.268 3.960 1.00 0.00 C ATOM 0 H ILE A 119 -1.659 -9.043 3.958 1.00 0.00 H new ATOM 0 HA ILE A 119 0.174 -8.034 2.124 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.662 -7.165 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.198 -5.865 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.239 -7.110 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.452 -5.014 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.618 -6.356 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.134 -5.680 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.120 -4.881 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.665 -5.716 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.607 -4.452 4.208 1.00 0.00 H new ATOM 665 N SER A 120 1.508 -9.227 4.899 1.00 0.00 N ATOM 666 CA SER A 120 2.760 -9.649 5.517 1.00 0.00 C ATOM 667 C SER A 120 3.517 -10.611 4.607 1.00 0.00 C ATOM 668 O SER A 120 4.639 -10.331 4.184 1.00 0.00 O ATOM 669 CB SER A 120 2.487 -10.314 6.867 1.00 0.00 C ATOM 670 OG SER A 120 1.600 -11.410 6.726 1.00 0.00 O ATOM 0 H SER A 120 0.673 -9.454 5.440 1.00 0.00 H new ATOM 0 HA SER A 120 3.376 -8.764 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.425 -10.656 7.304 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.062 -9.584 7.556 1.00 0.00 H new ATOM 0 HG SER A 120 0.925 -11.200 6.047 1.00 0.00 H new ATOM 676 N SER A 121 2.896 -11.748 4.310 1.00 0.00 N ATOM 677 CA SER A 121 3.511 -12.755 3.453 1.00 0.00 C ATOM 678 C SER A 121 4.085 -12.117 2.191 1.00 0.00 C ATOM 679 O SER A 121 5.235 -12.362 1.825 1.00 0.00 O ATOM 680 CB SER A 121 2.489 -13.828 3.076 1.00 0.00 C ATOM 681 OG SER A 121 1.347 -13.253 2.464 1.00 0.00 O ATOM 0 H SER A 121 1.967 -11.995 4.650 1.00 0.00 H new ATOM 0 HA SER A 121 4.326 -13.219 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.946 -14.547 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.189 -14.378 3.968 1.00 0.00 H new ATOM 0 HG SER A 121 1.218 -12.343 2.803 1.00 0.00 H new ATOM 687 N LYS A 122 3.276 -11.297 1.530 1.00 0.00 N ATOM 688 CA LYS A 122 3.700 -10.622 0.309 1.00 0.00 C ATOM 689 C LYS A 122 5.039 -9.919 0.514 1.00 0.00 C ATOM 690 O LYS A 122 5.914 -9.968 -0.350 1.00 0.00 O ATOM 691 CB LYS A 122 2.642 -9.608 -0.132 1.00 0.00 C ATOM 692 CG LYS A 122 1.486 -10.229 -0.896 1.00 0.00 C ATOM 693 CD LYS A 122 0.334 -9.251 -1.056 1.00 0.00 C ATOM 694 CE LYS A 122 -0.660 -9.728 -2.104 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.305 -9.241 -3.466 1.00 0.00 N ATOM 0 H LYS A 122 2.322 -11.083 1.820 1.00 0.00 H new ATOM 0 HA LYS A 122 3.819 -11.375 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.252 -9.096 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.115 -8.851 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.830 -10.552 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.139 -11.119 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.175 -9.127 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.722 -8.273 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.692 -10.818 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.659 -9.379 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.006 -9.587 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.299 -8.201 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.638 -9.594 -3.726 1.00 0.00 H new ATOM 709 N MET A 123 5.191 -9.268 1.662 1.00 0.00 N ATOM 710 CA MET A 123 6.424 -8.558 1.980 1.00 0.00 C ATOM 711 C MET A 123 7.604 -9.523 2.051 1.00 0.00 C ATOM 712 O MET A 123 8.697 -9.218 1.573 1.00 0.00 O ATOM 713 CB MET A 123 6.281 -7.812 3.308 1.00 0.00 C ATOM 714 CG MET A 123 5.378 -6.592 3.225 1.00 0.00 C ATOM 715 SD MET A 123 5.310 -5.670 4.773 1.00 0.00 S ATOM 716 CE MET A 123 6.911 -4.867 4.758 1.00 0.00 C ATOM 0 H MET A 123 4.476 -9.217 2.388 1.00 0.00 H new ATOM 0 HA MET A 123 6.613 -7.837 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.886 -8.496 4.059 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.268 -7.501 3.649 1.00 0.00 H new ATOM 0 HG2 MET A 123 5.734 -5.935 2.431 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.372 -6.908 2.951 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.467 -5.148 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.466 -5.178 3.873 1.00 0.00 H new ATOM 0 HE3 MET A 123 6.776 -3.786 4.740 1.00 0.00 H new ATOM 726 N ARG A 124 7.375 -10.687 2.650 1.00 0.00 N ATOM 727 CA ARG A 124 8.420 -11.695 2.784 1.00 0.00 C ATOM 728 C ARG A 124 8.981 -12.082 1.418 1.00 0.00 C ATOM 729 O ARG A 124 10.196 -12.143 1.231 1.00 0.00 O ATOM 730 CB ARG A 124 7.873 -12.936 3.492 1.00 0.00 C ATOM 731 CG ARG A 124 7.131 -12.624 4.781 1.00 0.00 C ATOM 732 CD ARG A 124 7.217 -13.778 5.767 1.00 0.00 C ATOM 733 NE ARG A 124 6.148 -14.752 5.564 1.00 0.00 N ATOM 734 CZ ARG A 124 6.070 -15.905 6.219 1.00 0.00 C ATOM 735 NH1 ARG A 124 6.993 -16.226 7.115 1.00 0.00 N ATOM 736 NH2 ARG A 124 5.066 -16.740 5.979 1.00 0.00 N ATOM 0 H ARG A 124 6.476 -10.955 3.050 1.00 0.00 H new ATOM 0 HA ARG A 124 9.226 -11.269 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.202 -13.464 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.699 -13.612 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.549 -11.725 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.085 -12.412 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.183 -14.273 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.166 -13.390 6.784 1.00 0.00 H new ATOM 0 HE ARG A 124 5.421 -14.535 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.765 -15.587 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.931 -17.112 7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.353 -16.496 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 124 5.007 -17.625 6.483 1.00 0.00 H new ATOM 750 N GLU A 125 8.087 -12.342 0.469 1.00 0.00 N ATOM 751 CA GLU A 125 8.494 -12.724 -0.878 1.00 0.00 C ATOM 752 C GLU A 125 9.409 -11.667 -1.490 1.00 0.00 C ATOM 753 O GLU A 125 10.302 -11.983 -2.277 1.00 0.00 O ATOM 754 CB GLU A 125 7.266 -12.929 -1.767 1.00 0.00 C ATOM 755 CG GLU A 125 6.446 -14.155 -1.400 1.00 0.00 C ATOM 756 CD GLU A 125 6.963 -15.420 -2.058 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.044 -15.449 -3.304 1.00 0.00 O ATOM 758 OE2 GLU A 125 7.285 -16.380 -1.328 1.00 0.00 O ATOM 0 H GLU A 125 7.078 -12.295 0.608 1.00 0.00 H new ATOM 0 HA GLU A 125 9.045 -13.662 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.631 -12.045 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.589 -13.016 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.455 -14.283 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.409 -13.995 -1.693 1.00 0.00 H new ATOM 765 N LYS A 126 9.178 -10.411 -1.125 1.00 0.00 N ATOM 766 CA LYS A 126 9.980 -9.305 -1.636 1.00 0.00 C ATOM 767 C LYS A 126 11.327 -9.234 -0.924 1.00 0.00 C ATOM 768 O LYS A 126 12.312 -8.755 -1.484 1.00 0.00 O ATOM 769 CB LYS A 126 9.230 -7.983 -1.465 1.00 0.00 C ATOM 770 CG LYS A 126 8.352 -7.623 -2.651 1.00 0.00 C ATOM 771 CD LYS A 126 6.943 -8.170 -2.488 1.00 0.00 C ATOM 772 CE LYS A 126 6.810 -9.558 -3.097 1.00 0.00 C ATOM 773 NZ LYS A 126 6.942 -9.527 -4.580 1.00 0.00 N ATOM 0 H LYS A 126 8.441 -10.133 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 126 10.159 -9.479 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.611 -8.039 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.953 -7.183 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.312 -6.539 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 126 8.794 -8.019 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.687 -8.210 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.232 -7.494 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.574 -10.213 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.843 -9.982 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.463 -10.355 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.507 -8.658 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.949 -9.547 -4.839 1.00 0.00 H new ATOM 787 N GLY A 127 11.362 -9.716 0.315 1.00 0.00 N ATOM 788 CA GLY A 127 12.593 -9.699 1.083 1.00 0.00 C ATOM 789 C GLY A 127 12.398 -9.140 2.479 1.00 0.00 C ATOM 790 O GLY A 127 13.285 -9.244 3.327 1.00 0.00 O ATOM 0 H GLY A 127 10.560 -10.118 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.988 -10.712 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.338 -9.102 0.557 1.00 0.00 H new ATOM 794 N PHE A 128 11.235 -8.544 2.719 1.00 0.00 N ATOM 795 CA PHE A 128 10.927 -7.964 4.021 1.00 0.00 C ATOM 796 C PHE A 128 10.229 -8.981 4.918 1.00 0.00 C ATOM 797 O PHE A 128 9.064 -9.317 4.705 1.00 0.00 O ATOM 798 CB PHE A 128 10.046 -6.724 3.855 1.00 0.00 C ATOM 799 CG PHE A 128 10.757 -5.563 3.220 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.004 -5.166 3.673 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.177 -4.869 2.170 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.661 -4.099 3.091 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.830 -3.801 1.584 1.00 0.00 C ATOM 804 CZ PHE A 128 12.073 -3.415 2.045 1.00 0.00 C ATOM 0 H PHE A 128 10.490 -8.450 2.029 1.00 0.00 H new ATOM 0 HA PHE A 128 11.866 -7.674 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.178 -6.984 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.673 -6.420 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.468 -5.697 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.205 -5.166 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.633 -3.800 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.368 -3.269 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.584 -2.580 1.589 1.00 0.00 H new ATOM 814 N ASP A 129 10.951 -9.469 5.922 1.00 0.00 N ATOM 815 CA ASP A 129 10.402 -10.448 6.853 1.00 0.00 C ATOM 816 C ASP A 129 9.885 -9.766 8.116 1.00 0.00 C ATOM 817 O ASP A 129 10.637 -9.543 9.065 1.00 0.00 O ATOM 818 CB ASP A 129 11.463 -11.487 7.218 1.00 0.00 C ATOM 819 CG ASP A 129 12.813 -10.860 7.507 1.00 0.00 C ATOM 820 OD1 ASP A 129 12.840 -9.707 7.986 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.842 -11.521 7.254 1.00 0.00 O ATOM 0 H ASP A 129 11.917 -9.202 6.111 1.00 0.00 H new ATOM 0 HA ASP A 129 9.567 -10.949 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.132 -12.048 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.565 -12.201 6.400 1.00 0.00 H new ATOM 826 N ARG A 130 8.597 -9.437 8.120 1.00 0.00 N ATOM 827 CA ARG A 130 7.980 -8.779 9.265 1.00 0.00 C ATOM 828 C ARG A 130 6.655 -9.443 9.625 1.00 0.00 C ATOM 829 O ARG A 130 5.827 -9.711 8.755 1.00 0.00 O ATOM 830 CB ARG A 130 7.755 -7.295 8.967 1.00 0.00 C ATOM 831 CG ARG A 130 8.989 -6.435 9.187 1.00 0.00 C ATOM 832 CD ARG A 130 9.151 -6.059 10.651 1.00 0.00 C ATOM 833 NE ARG A 130 9.949 -7.040 11.383 1.00 0.00 N ATOM 834 CZ ARG A 130 10.524 -6.792 12.555 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.390 -5.603 13.125 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.235 -7.736 13.159 1.00 0.00 N ATOM 0 H ARG A 130 7.961 -9.616 7.343 1.00 0.00 H new ATOM 0 HA ARG A 130 8.656 -8.874 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.427 -7.187 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.947 -6.925 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.874 -6.973 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.916 -5.530 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.624 -5.080 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.168 -5.973 11.114 1.00 0.00 H new ATOM 0 HE ARG A 130 10.071 -7.965 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.844 -4.875 12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.833 -5.416 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.340 -8.652 12.724 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.676 -7.545 14.059 1.00 0.00 H new ATOM 850 N SER A 131 6.462 -9.707 10.913 1.00 0.00 N ATOM 851 CA SER A 131 5.239 -10.345 11.388 1.00 0.00 C ATOM 852 C SER A 131 4.008 -9.580 10.912 1.00 0.00 C ATOM 853 O SER A 131 4.081 -8.414 10.526 1.00 0.00 O ATOM 854 CB SER A 131 5.243 -10.428 12.916 1.00 0.00 C ATOM 855 OG SER A 131 5.839 -11.635 13.359 1.00 0.00 O ATOM 0 H SER A 131 7.136 -9.489 11.647 1.00 0.00 H new ATOM 0 HA SER A 131 5.200 -11.354 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.786 -9.578 13.328 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.221 -10.365 13.290 1.00 0.00 H new ATOM 0 HG SER A 131 5.831 -11.663 14.339 1.00 0.00 H new ATOM 861 N PRO A 132 2.848 -10.253 10.940 1.00 0.00 N ATOM 862 CA PRO A 132 1.577 -9.657 10.515 1.00 0.00 C ATOM 863 C PRO A 132 1.090 -8.582 11.480 1.00 0.00 C ATOM 864 O PRO A 132 0.758 -7.469 11.071 1.00 0.00 O ATOM 865 CB PRO A 132 0.613 -10.846 10.508 1.00 0.00 C ATOM 866 CG PRO A 132 1.195 -11.812 11.482 1.00 0.00 C ATOM 867 CD PRO A 132 2.687 -11.646 11.388 1.00 0.00 C ATOM 0 HA PRO A 132 1.664 -9.155 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.391 -10.543 10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.534 -11.286 9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.842 -11.607 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.900 -12.834 11.242 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.172 -11.817 12.349 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.126 -12.349 10.680 1.00 0.00 H new ATOM 875 N THR A 133 1.049 -8.921 12.765 1.00 0.00 N ATOM 876 CA THR A 133 0.602 -7.985 13.789 1.00 0.00 C ATOM 877 C THR A 133 1.427 -6.703 13.760 1.00 0.00 C ATOM 878 O THR A 133 0.899 -5.610 13.964 1.00 0.00 O ATOM 879 CB THR A 133 0.688 -8.607 15.195 1.00 0.00 C ATOM 880 OG1 THR A 133 0.500 -10.024 15.117 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.358 -8.002 16.120 1.00 0.00 C ATOM 0 H THR A 133 1.320 -9.838 13.121 1.00 0.00 H new ATOM 0 HA THR A 133 -0.439 -7.748 13.568 1.00 0.00 H new ATOM 0 HB THR A 133 1.677 -8.394 15.602 1.00 0.00 H new ATOM 0 HG1 THR A 133 0.558 -10.412 16.015 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.278 -8.457 17.107 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.194 -6.927 16.201 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.353 -8.187 15.715 1.00 0.00 H new ATOM 889 N MET A 134 2.723 -6.846 13.506 1.00 0.00 N ATOM 890 CA MET A 134 3.621 -5.697 13.449 1.00 0.00 C ATOM 891 C MET A 134 3.039 -4.596 12.568 1.00 0.00 C ATOM 892 O MET A 134 2.834 -3.469 13.022 1.00 0.00 O ATOM 893 CB MET A 134 4.992 -6.121 12.918 1.00 0.00 C ATOM 894 CG MET A 134 5.743 -7.056 13.852 1.00 0.00 C ATOM 895 SD MET A 134 6.392 -6.210 15.306 1.00 0.00 S ATOM 896 CE MET A 134 7.788 -5.340 14.598 1.00 0.00 C ATOM 0 H MET A 134 3.175 -7.744 13.336 1.00 0.00 H new ATOM 0 HA MET A 134 3.736 -5.306 14.460 1.00 0.00 H new ATOM 0 HB2 MET A 134 4.863 -6.611 11.953 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.597 -5.231 12.745 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.077 -7.858 14.170 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.566 -7.521 13.310 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.712 -5.715 15.038 1.00 0.00 H new ATOM 0 HE2 MET A 134 7.808 -5.500 13.520 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.695 -4.274 14.804 1.00 0.00 H new ATOM 906 N CYS A 135 2.776 -4.928 11.309 1.00 0.00 N ATOM 907 CA CYS A 135 2.219 -3.966 10.365 1.00 0.00 C ATOM 908 C CYS A 135 0.853 -3.474 10.832 1.00 0.00 C ATOM 909 O CYS A 135 0.484 -2.322 10.603 1.00 0.00 O ATOM 910 CB CYS A 135 2.100 -4.595 8.976 1.00 0.00 C ATOM 911 SG CYS A 135 3.683 -5.074 8.244 1.00 0.00 S ATOM 0 H CYS A 135 2.940 -5.856 10.918 1.00 0.00 H new ATOM 0 HA CYS A 135 2.894 -3.112 10.313 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.461 -5.476 9.041 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.603 -3.889 8.311 1.00 0.00 H new ATOM 0 HG CYS A 135 4.652 -4.497 8.891 1.00 0.00 H new ATOM 917 N THR A 136 0.105 -4.355 11.488 1.00 0.00 N ATOM 918 CA THR A 136 -1.221 -4.012 11.986 1.00 0.00 C ATOM 919 C THR A 136 -1.151 -2.877 13.001 1.00 0.00 C ATOM 920 O THR A 136 -1.848 -1.871 12.871 1.00 0.00 O ATOM 921 CB THR A 136 -1.909 -5.226 12.638 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.195 -6.218 11.645 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.197 -4.811 13.332 1.00 0.00 C ATOM 0 H THR A 136 0.395 -5.312 11.687 1.00 0.00 H new ATOM 0 HA THR A 136 -1.807 -3.691 11.125 1.00 0.00 H new ATOM 0 HB THR A 136 -1.232 -5.642 13.384 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.682 -5.806 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.664 -5.685 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 136 -2.973 -4.078 14.107 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.878 -4.372 12.603 1.00 0.00 H new ATOM 931 N ASP A 137 -0.304 -3.044 14.011 1.00 0.00 N ATOM 932 CA ASP A 137 -0.141 -2.032 15.048 1.00 0.00 C ATOM 933 C ASP A 137 0.567 -0.799 14.497 1.00 0.00 C ATOM 934 O ASP A 137 0.139 0.332 14.729 1.00 0.00 O ATOM 935 CB ASP A 137 0.648 -2.603 16.228 1.00 0.00 C ATOM 936 CG ASP A 137 0.271 -1.953 17.545 1.00 0.00 C ATOM 937 OD1 ASP A 137 0.676 -0.793 17.770 1.00 0.00 O ATOM 938 OD2 ASP A 137 -0.428 -2.604 18.350 1.00 0.00 O ATOM 0 H ASP A 137 0.280 -3.871 14.133 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.132 -1.737 15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.473 -3.677 16.293 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.714 -2.464 16.050 1.00 0.00 H new ATOM 943 N LYS A 138 1.654 -1.023 13.765 1.00 0.00 N ATOM 944 CA LYS A 138 2.422 0.069 13.180 1.00 0.00 C ATOM 945 C LYS A 138 1.559 0.894 12.231 1.00 0.00 C ATOM 946 O LYS A 138 1.652 2.121 12.201 1.00 0.00 O ATOM 947 CB LYS A 138 3.640 -0.480 12.433 1.00 0.00 C ATOM 948 CG LYS A 138 4.345 0.557 11.575 1.00 0.00 C ATOM 949 CD LYS A 138 4.961 1.656 12.423 1.00 0.00 C ATOM 950 CE LYS A 138 6.149 2.299 11.724 1.00 0.00 C ATOM 951 NZ LYS A 138 6.791 3.344 12.569 1.00 0.00 N ATOM 0 H LYS A 138 2.023 -1.952 13.563 1.00 0.00 H new ATOM 0 HA LYS A 138 2.761 0.716 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.348 -0.883 13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.324 -1.309 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.122 0.074 10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.635 0.993 10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.209 2.415 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.280 1.243 13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.883 1.532 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.821 2.743 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.596 3.758 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.098 4.089 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.127 2.916 13.455 1.00 0.00 H new ATOM 965 N TRP A 139 0.720 0.213 11.459 1.00 0.00 N ATOM 966 CA TRP A 139 -0.161 0.884 10.510 1.00 0.00 C ATOM 967 C TRP A 139 -1.100 1.848 11.226 1.00 0.00 C ATOM 968 O TRP A 139 -1.154 3.034 10.899 1.00 0.00 O ATOM 969 CB TRP A 139 -0.971 -0.145 9.720 1.00 0.00 C ATOM 970 CG TRP A 139 -2.118 0.456 8.964 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.448 0.311 9.240 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.036 1.296 7.807 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.197 1.009 8.325 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.355 1.623 7.436 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.977 1.805 7.050 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.640 2.434 6.340 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.262 2.609 5.964 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.584 2.918 5.617 1.00 0.00 C ATOM 0 H TRP A 139 0.631 -0.803 11.471 1.00 0.00 H new ATOM 0 HA TRP A 139 0.458 1.456 9.819 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.311 -0.656 9.019 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.353 -0.901 10.406 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.851 -0.268 10.058 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.216 1.062 8.310 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.045 1.574 7.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.658 2.672 6.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.451 3.007 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.773 3.550 4.762 1.00 0.00 H new ATOM 989 N ARG A 140 -1.837 1.333 12.204 1.00 0.00 N ATOM 990 CA ARG A 140 -2.774 2.149 12.966 1.00 0.00 C ATOM 991 C ARG A 140 -2.113 3.441 13.436 1.00 0.00 C ATOM 992 O ARG A 140 -2.690 4.522 13.323 1.00 0.00 O ATOM 993 CB ARG A 140 -3.303 1.367 14.170 1.00 0.00 C ATOM 994 CG ARG A 140 -4.535 0.533 13.861 1.00 0.00 C ATOM 995 CD ARG A 140 -4.660 -0.649 14.810 1.00 0.00 C ATOM 996 NE ARG A 140 -5.383 -0.298 16.029 1.00 0.00 N ATOM 997 CZ ARG A 140 -5.778 -1.189 16.932 1.00 0.00 C ATOM 998 NH1 ARG A 140 -5.520 -2.477 16.753 1.00 0.00 N ATOM 999 NH2 ARG A 140 -6.431 -0.792 18.017 1.00 0.00 N ATOM 0 H ARG A 140 -1.803 0.354 12.488 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.608 2.405 12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.515 0.712 14.542 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.540 2.067 14.971 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.426 1.157 13.935 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.483 0.172 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.176 -1.466 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.666 -1.012 15.070 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.597 0.685 16.197 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.017 -2.786 15.921 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -5.824 -3.159 17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.630 0.198 18.159 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -6.734 -1.477 18.709 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.899 3.320 13.964 1.00 0.00 N ATOM 1014 CA ASN A 141 -0.160 4.479 14.452 1.00 0.00 C ATOM 1015 C ASN A 141 0.102 5.472 13.324 1.00 0.00 C ATOM 1016 O ASN A 141 -0.034 6.683 13.505 1.00 0.00 O ATOM 1017 CB ASN A 141 1.166 4.038 15.076 1.00 0.00 C ATOM 1018 CG ASN A 141 1.627 4.973 16.176 1.00 0.00 C ATOM 1019 OD1 ASN A 141 0.869 5.826 16.639 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.875 4.817 16.601 1.00 0.00 N ATOM 0 H ASN A 141 -0.407 2.432 14.065 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.766 4.972 15.212 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.057 3.032 15.480 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.931 3.989 14.301 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.241 5.417 17.340 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.468 4.097 16.189 1.00 0.00 H new ATOM 1027 N LEU A 142 0.476 4.952 12.160 1.00 0.00 N ATOM 1028 CA LEU A 142 0.756 5.793 11.001 1.00 0.00 C ATOM 1029 C LEU A 142 -0.439 6.683 10.673 1.00 0.00 C ATOM 1030 O LEU A 142 -0.276 7.833 10.263 1.00 0.00 O ATOM 1031 CB LEU A 142 1.108 4.927 9.791 1.00 0.00 C ATOM 1032 CG LEU A 142 2.541 4.394 9.742 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.659 3.275 8.719 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.517 5.517 9.421 1.00 0.00 C ATOM 0 H LEU A 142 0.592 3.952 11.994 1.00 0.00 H new ATOM 0 HA LEU A 142 1.606 6.431 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.425 4.078 9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.927 5.509 8.887 1.00 0.00 H new ATOM 0 HG LEU A 142 2.792 3.990 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.685 2.908 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.988 2.460 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.389 3.653 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.532 5.120 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.267 5.950 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.452 6.287 10.190 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.639 6.145 10.858 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.863 6.891 10.585 1.00 0.00 C ATOM 1048 C LEU A 143 -3.057 8.011 11.602 1.00 0.00 C ATOM 1049 O LEU A 143 -3.439 9.126 11.248 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.071 5.952 10.605 1.00 0.00 C ATOM 1051 CG LEU A 143 -3.930 4.660 9.801 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.056 3.695 10.140 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -3.913 4.959 8.309 1.00 0.00 C ATOM 0 H LEU A 143 -1.791 5.195 11.196 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.774 7.337 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.285 5.690 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -4.936 6.498 10.229 1.00 0.00 H new ATOM 0 HG LEU A 143 -2.983 4.190 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -4.939 2.781 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.022 3.455 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.015 4.156 9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -3.812 4.027 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -4.843 5.452 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.072 5.612 8.078 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.789 7.707 12.867 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.931 8.688 13.937 1.00 0.00 C ATOM 1067 C LYS A 144 -1.969 9.854 13.736 1.00 0.00 C ATOM 1068 O LYS A 144 -2.334 11.012 13.936 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.676 8.031 15.295 1.00 0.00 C ATOM 1070 CG LYS A 144 -3.904 7.359 15.885 1.00 0.00 C ATOM 1071 CD LYS A 144 -4.723 8.328 16.721 1.00 0.00 C ATOM 1072 CE LYS A 144 -4.159 8.467 18.126 1.00 0.00 C ATOM 1073 NZ LYS A 144 -4.532 7.313 18.991 1.00 0.00 N ATOM 0 H LYS A 144 -2.472 6.788 13.177 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.951 9.072 13.912 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -1.883 7.291 15.188 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -2.315 8.786 15.993 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.522 6.958 15.081 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.597 6.515 16.502 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.740 9.304 16.236 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.755 7.981 16.775 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.073 8.546 18.075 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.525 9.390 18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.186 7.478 19.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.567 7.211 19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -4.104 6.444 18.614 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.740 9.541 13.338 1.00 0.00 N ATOM 1088 CA GLU A 145 0.273 10.564 13.110 1.00 0.00 C ATOM 1089 C GLU A 145 0.008 11.311 11.805 1.00 0.00 C ATOM 1090 O GLU A 145 0.183 12.527 11.726 1.00 0.00 O ATOM 1091 CB GLU A 145 1.667 9.935 13.076 1.00 0.00 C ATOM 1092 CG GLU A 145 1.974 9.204 11.780 1.00 0.00 C ATOM 1093 CD GLU A 145 3.405 8.707 11.714 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.670 7.590 12.206 1.00 0.00 O ATOM 1095 OE2 GLU A 145 4.261 9.437 11.171 1.00 0.00 O ATOM 0 H GLU A 145 -0.422 8.587 13.167 1.00 0.00 H new ATOM 0 HA GLU A 145 0.224 11.277 13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.412 10.716 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.762 9.237 13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.295 8.358 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.786 9.870 10.938 1.00 0.00 H new