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 131 SER OG : rot 117:sc= -0.327 USER MOD Set 1.2: A 133 THR OG1 : rot 180:sc= 0.603 USER MOD Set 2.1: A 102 MET CE :methyl 153:sc= -0.707 (180deg=-1.87!) USER MOD Set 2.2: A 118 GLN : amide:sc= -0.114 K(o=-0.82,f=-2.1!) USER MOD Set 3.1: A 94 SER OG : rot -62:sc= 0.54 USER MOD Set 3.2: A 123 MET CE :methyl -116:sc= -0.333 (180deg=-0.542) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 92 THR OG1 : rot 79:sc= 0.241 USER MOD Single : A 97 MET CE :methyl 157:sc= -0.193 (180deg=-0.784) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -2.18! X(o=-2.2!,f=-2.1) USER MOD Single : A 120 SER OG : rot -56:sc= 0.476 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 144:sc= 0.124 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -128:sc= -0.47 (180deg=-1.87) USER MOD Single : A 135 CYS SG : rot 69:sc= 0.634 USER MOD Single : A 136 THR OG1 : rot -45:sc= 0.402 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=-0.1) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.899 0.278 12.320 1.00 0.00 N ATOM 109 CA TRP A 87 11.490 0.169 10.924 1.00 0.00 C ATOM 110 C TRP A 87 12.239 1.175 10.057 1.00 0.00 C ATOM 111 O TRP A 87 12.198 2.379 10.310 1.00 0.00 O ATOM 112 CB TRP A 87 9.982 0.389 10.795 1.00 0.00 C ATOM 113 CG TRP A 87 9.169 -0.784 11.252 1.00 0.00 C ATOM 114 CD1 TRP A 87 9.111 -1.299 12.516 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.300 -1.590 10.449 1.00 0.00 C ATOM 116 NE1 TRP A 87 8.259 -2.376 12.547 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.747 -2.574 11.291 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.933 -1.574 9.101 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.850 -3.532 10.828 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.042 -2.526 8.642 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.508 -3.493 9.503 1.00 0.00 C ATOM 0 HA TRP A 87 11.735 -0.835 10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.699 1.267 11.376 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.741 0.605 9.754 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.655 -0.916 13.366 1.00 0.00 H new ATOM 0 HE1 TRP A 87 8.043 -2.937 13.371 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.338 -0.831 8.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.438 -4.279 11.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.753 -2.524 7.601 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.813 -4.222 9.114 1.00 0.00 H new ATOM 132 N VAL A 88 12.923 0.674 9.033 1.00 0.00 N ATOM 133 CA VAL A 88 13.680 1.530 8.128 1.00 0.00 C ATOM 134 C VAL A 88 12.792 2.076 7.016 1.00 0.00 C ATOM 135 O VAL A 88 11.814 1.441 6.621 1.00 0.00 O ATOM 136 CB VAL A 88 14.864 0.772 7.498 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.949 0.521 8.534 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.392 -0.535 6.881 1.00 0.00 C ATOM 0 H VAL A 88 12.968 -0.320 8.810 1.00 0.00 H new ATOM 0 HA VAL A 88 14.063 2.359 8.723 1.00 0.00 H new ATOM 0 HB VAL A 88 15.288 1.389 6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.777 -0.015 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.307 1.474 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.542 -0.076 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.241 -1.057 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.942 -1.160 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.654 -0.326 6.107 1.00 0.00 H new ATOM 148 N GLN A 89 13.139 3.258 6.515 1.00 0.00 N ATOM 149 CA GLN A 89 12.372 3.890 5.448 1.00 0.00 C ATOM 150 C GLN A 89 11.909 2.857 4.425 1.00 0.00 C ATOM 151 O GLN A 89 10.717 2.742 4.141 1.00 0.00 O ATOM 152 CB GLN A 89 13.210 4.968 4.759 1.00 0.00 C ATOM 153 CG GLN A 89 12.480 5.676 3.629 1.00 0.00 C ATOM 154 CD GLN A 89 13.115 7.003 3.265 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.242 7.297 3.668 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.395 7.815 2.499 1.00 0.00 N ATOM 0 H GLN A 89 13.946 3.796 6.831 1.00 0.00 H new ATOM 0 HA GLN A 89 11.491 4.354 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.518 5.706 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.119 4.513 4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.466 5.031 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.443 5.842 3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.466 7.532 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.771 8.722 2.222 1.00 0.00 H new ATOM 165 N ASP A 90 12.860 2.110 3.875 1.00 0.00 N ATOM 166 CA ASP A 90 12.549 1.085 2.884 1.00 0.00 C ATOM 167 C ASP A 90 11.325 0.277 3.303 1.00 0.00 C ATOM 168 O ASP A 90 10.269 0.364 2.677 1.00 0.00 O ATOM 169 CB ASP A 90 13.748 0.155 2.689 1.00 0.00 C ATOM 170 CG ASP A 90 14.951 0.874 2.111 1.00 0.00 C ATOM 171 OD1 ASP A 90 14.972 1.101 0.883 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.871 1.210 2.886 1.00 0.00 O ATOM 0 H ASP A 90 13.852 2.194 4.098 1.00 0.00 H new ATOM 0 HA ASP A 90 12.327 1.582 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.019 -0.289 3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.465 -0.664 2.027 1.00 0.00 H new ATOM 177 N GLU A 91 11.476 -0.509 4.364 1.00 0.00 N ATOM 178 CA GLU A 91 10.382 -1.334 4.864 1.00 0.00 C ATOM 179 C GLU A 91 9.104 -0.513 5.010 1.00 0.00 C ATOM 180 O GLU A 91 8.070 -0.845 4.430 1.00 0.00 O ATOM 181 CB GLU A 91 10.758 -1.956 6.211 1.00 0.00 C ATOM 182 CG GLU A 91 11.886 -2.969 6.120 1.00 0.00 C ATOM 183 CD GLU A 91 12.460 -3.328 7.477 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.675 -3.712 8.370 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.692 -3.224 7.647 1.00 0.00 O ATOM 0 H GLU A 91 12.344 -0.592 4.894 1.00 0.00 H new ATOM 0 HA GLU A 91 10.201 -2.130 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.048 -1.163 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.879 -2.441 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.519 -3.873 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.679 -2.568 5.489 1.00 0.00 H new ATOM 192 N THR A 92 9.183 0.561 5.789 1.00 0.00 N ATOM 193 CA THR A 92 8.033 1.429 6.013 1.00 0.00 C ATOM 194 C THR A 92 7.292 1.705 4.710 1.00 0.00 C ATOM 195 O THR A 92 6.082 1.497 4.618 1.00 0.00 O ATOM 196 CB THR A 92 8.456 2.769 6.644 1.00 0.00 C ATOM 197 OG1 THR A 92 9.208 2.532 7.839 1.00 0.00 O ATOM 198 CG2 THR A 92 7.238 3.623 6.966 1.00 0.00 C ATOM 0 H THR A 92 10.031 0.851 6.276 1.00 0.00 H new ATOM 0 HA THR A 92 7.370 0.905 6.701 1.00 0.00 H new ATOM 0 HB THR A 92 9.076 3.304 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.129 2.293 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.561 4.564 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.683 3.826 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.596 3.091 7.668 1.00 0.00 H new ATOM 206 N ARG A 93 8.024 2.174 3.705 1.00 0.00 N ATOM 207 CA ARG A 93 7.434 2.480 2.407 1.00 0.00 C ATOM 208 C ARG A 93 6.848 1.225 1.768 1.00 0.00 C ATOM 209 O ARG A 93 5.791 1.273 1.138 1.00 0.00 O ATOM 210 CB ARG A 93 8.483 3.096 1.479 1.00 0.00 C ATOM 211 CG ARG A 93 7.899 4.041 0.442 1.00 0.00 C ATOM 212 CD ARG A 93 8.981 4.877 -0.222 1.00 0.00 C ATOM 213 NE ARG A 93 9.569 4.197 -1.373 1.00 0.00 N ATOM 214 CZ ARG A 93 10.164 4.832 -2.377 1.00 0.00 C ATOM 215 NH1 ARG A 93 10.248 6.155 -2.371 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.675 4.143 -3.389 1.00 0.00 N ATOM 0 H ARG A 93 9.027 2.350 3.764 1.00 0.00 H new ATOM 0 HA ARG A 93 6.629 3.198 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.215 3.637 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.019 2.296 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.365 3.467 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.170 4.698 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.558 5.830 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.762 5.102 0.504 1.00 0.00 H new ATOM 0 HE ARG A 93 9.520 3.179 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.855 6.687 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.705 6.640 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.611 3.125 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.132 4.631 -4.159 1.00 0.00 H new ATOM 230 N SER A 94 7.541 0.103 1.934 1.00 0.00 N ATOM 231 CA SER A 94 7.092 -1.164 1.369 1.00 0.00 C ATOM 232 C SER A 94 5.742 -1.570 1.952 1.00 0.00 C ATOM 233 O SER A 94 4.808 -1.895 1.219 1.00 0.00 O ATOM 234 CB SER A 94 8.126 -2.260 1.634 1.00 0.00 C ATOM 235 OG SER A 94 7.955 -2.821 2.924 1.00 0.00 O ATOM 0 H SER A 94 8.416 0.046 2.455 1.00 0.00 H new ATOM 0 HA SER A 94 6.979 -1.034 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.034 -3.041 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.130 -1.846 1.544 1.00 0.00 H new ATOM 0 HG SER A 94 8.098 -2.129 3.603 1.00 0.00 H new ATOM 241 N LEU A 95 5.647 -1.550 3.277 1.00 0.00 N ATOM 242 CA LEU A 95 4.412 -1.915 3.962 1.00 0.00 C ATOM 243 C LEU A 95 3.278 -0.967 3.583 1.00 0.00 C ATOM 244 O LEU A 95 2.291 -1.377 2.972 1.00 0.00 O ATOM 245 CB LEU A 95 4.621 -1.899 5.477 1.00 0.00 C ATOM 246 CG LEU A 95 3.352 -1.887 6.330 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.505 -3.118 6.044 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.703 -1.811 7.808 1.00 0.00 C ATOM 0 H LEU A 95 6.411 -1.285 3.899 1.00 0.00 H new ATOM 0 HA LEU A 95 4.138 -2.923 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.211 -2.774 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.215 -1.021 5.732 1.00 0.00 H new ATOM 0 HG LEU A 95 2.771 -1.002 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.606 -3.092 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.223 -3.129 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.078 -4.016 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.787 -1.803 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.306 -2.676 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.267 -0.899 8.001 1.00 0.00 H new ATOM 260 N ILE A 96 3.429 0.301 3.948 1.00 0.00 N ATOM 261 CA ILE A 96 2.419 1.308 3.644 1.00 0.00 C ATOM 262 C ILE A 96 1.787 1.058 2.280 1.00 0.00 C ATOM 263 O ILE A 96 0.576 0.864 2.171 1.00 0.00 O ATOM 264 CB ILE A 96 3.015 2.728 3.669 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.450 3.098 5.088 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.005 3.735 3.140 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.418 4.260 5.140 1.00 0.00 C ATOM 0 H ILE A 96 4.240 0.656 4.454 1.00 0.00 H new ATOM 0 HA ILE A 96 1.653 1.230 4.416 1.00 0.00 H new ATOM 0 HB ILE A 96 3.893 2.749 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.567 3.345 5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.913 2.229 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.441 4.734 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.739 3.479 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.110 3.714 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.683 4.467 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.318 4.009 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.951 5.142 4.702 1.00 0.00 H new ATOM 279 N MET A 97 2.615 1.061 1.240 1.00 0.00 N ATOM 280 CA MET A 97 2.137 0.831 -0.118 1.00 0.00 C ATOM 281 C MET A 97 1.225 -0.391 -0.174 1.00 0.00 C ATOM 282 O MET A 97 0.062 -0.292 -0.568 1.00 0.00 O ATOM 283 CB MET A 97 3.318 0.644 -1.073 1.00 0.00 C ATOM 284 CG MET A 97 3.895 1.952 -1.589 1.00 0.00 C ATOM 285 SD MET A 97 5.149 1.704 -2.860 1.00 0.00 S ATOM 286 CE MET A 97 4.164 0.985 -4.172 1.00 0.00 C ATOM 0 H MET A 97 3.620 1.220 1.312 1.00 0.00 H new ATOM 0 HA MET A 97 1.564 1.705 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.103 0.087 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.997 0.038 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.090 2.565 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.331 2.506 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.660 1.146 -5.129 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.051 -0.085 -3.998 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.181 1.456 -4.189 1.00 0.00 H new ATOM 296 N PHE A 98 1.759 -1.541 0.222 1.00 0.00 N ATOM 297 CA PHE A 98 0.993 -2.782 0.216 1.00 0.00 C ATOM 298 C PHE A 98 -0.347 -2.598 0.922 1.00 0.00 C ATOM 299 O PHE A 98 -1.385 -3.043 0.432 1.00 0.00 O ATOM 300 CB PHE A 98 1.789 -3.901 0.892 1.00 0.00 C ATOM 301 CG PHE A 98 2.667 -4.668 -0.054 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.175 -5.112 -1.271 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.985 -4.945 0.273 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.981 -5.819 -2.143 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.796 -5.651 -0.596 1.00 0.00 C ATOM 306 CZ PHE A 98 4.293 -6.088 -1.805 1.00 0.00 C ATOM 0 H PHE A 98 2.719 -1.640 0.551 1.00 0.00 H new ATOM 0 HA PHE A 98 0.802 -3.057 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.407 -3.471 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.095 -4.591 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.150 -4.903 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.383 -4.605 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.585 -6.161 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.821 -5.860 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.925 -6.640 -2.486 1.00 0.00 H new ATOM 316 N ARG A 99 -0.315 -1.938 2.076 1.00 0.00 N ATOM 317 CA ARG A 99 -1.526 -1.696 2.851 1.00 0.00 C ATOM 318 C ARG A 99 -2.542 -0.899 2.037 1.00 0.00 C ATOM 319 O ARG A 99 -3.663 -1.353 1.808 1.00 0.00 O ATOM 320 CB ARG A 99 -1.190 -0.947 4.141 1.00 0.00 C ATOM 321 CG ARG A 99 -2.107 -1.294 5.303 1.00 0.00 C ATOM 322 CD ARG A 99 -3.521 -1.592 4.827 1.00 0.00 C ATOM 323 NE ARG A 99 -4.501 -1.449 5.900 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.801 -1.278 5.689 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.275 -1.229 4.452 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.631 -1.156 6.718 1.00 0.00 N ATOM 0 H ARG A 99 0.536 -1.562 2.494 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.965 -2.661 3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.161 -1.169 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.245 0.125 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.711 -2.159 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.127 -0.466 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.778 -0.918 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.564 -2.606 4.430 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.169 -1.482 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.641 -1.323 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.274 -1.098 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.270 -1.194 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.629 -1.025 6.555 1.00 0.00 H new ATOM 340 N ARG A 100 -2.141 0.292 1.604 1.00 0.00 N ATOM 341 CA ARG A 100 -3.017 1.153 0.818 1.00 0.00 C ATOM 342 C ARG A 100 -3.618 0.389 -0.358 1.00 0.00 C ATOM 343 O ARG A 100 -4.834 0.364 -0.538 1.00 0.00 O ATOM 344 CB ARG A 100 -2.244 2.371 0.308 1.00 0.00 C ATOM 345 CG ARG A 100 -1.537 3.148 1.406 1.00 0.00 C ATOM 346 CD ARG A 100 -0.671 4.259 0.833 1.00 0.00 C ATOM 347 NE ARG A 100 -1.472 5.327 0.241 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.978 6.246 -0.582 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.307 6.226 -0.908 1.00 0.00 N ATOM 350 NH2 ARG A 100 -1.770 7.186 -1.080 1.00 0.00 N ATOM 0 H ARG A 100 -1.216 0.682 1.784 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.829 1.490 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.507 2.042 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.934 3.037 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.276 3.574 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.919 2.469 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.042 4.672 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.003 3.845 0.077 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.465 5.370 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.919 5.504 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.684 6.932 -1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.759 7.204 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.390 7.891 -1.712 1.00 0.00 H new ATOM 364 N GLY A 101 -2.755 -0.232 -1.157 1.00 0.00 N ATOM 365 CA GLY A 101 -3.220 -0.987 -2.306 1.00 0.00 C ATOM 366 C GLY A 101 -4.322 -1.965 -1.950 1.00 0.00 C ATOM 367 O GLY A 101 -5.263 -2.156 -2.719 1.00 0.00 O ATOM 0 H GLY A 101 -1.743 -0.226 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.583 -0.297 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.382 -1.531 -2.742 1.00 0.00 H new ATOM 371 N MET A 102 -4.205 -2.586 -0.781 1.00 0.00 N ATOM 372 CA MET A 102 -5.199 -3.550 -0.325 1.00 0.00 C ATOM 373 C MET A 102 -6.403 -2.841 0.287 1.00 0.00 C ATOM 374 O MET A 102 -7.442 -3.456 0.527 1.00 0.00 O ATOM 375 CB MET A 102 -4.583 -4.507 0.697 1.00 0.00 C ATOM 376 CG MET A 102 -3.538 -5.438 0.104 1.00 0.00 C ATOM 377 SD MET A 102 -4.264 -6.902 -0.658 1.00 0.00 S ATOM 378 CE MET A 102 -4.796 -7.810 0.792 1.00 0.00 C ATOM 0 H MET A 102 -3.432 -2.439 -0.132 1.00 0.00 H new ATOM 0 HA MET A 102 -5.536 -4.122 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.127 -3.926 1.498 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.376 -5.104 1.148 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.956 -4.896 -0.641 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.846 -5.746 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.641 -8.448 0.532 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.975 -8.427 1.157 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.097 -7.109 1.570 1.00 0.00 H new ATOM 388 N ASP A 103 -6.256 -1.545 0.538 1.00 0.00 N ATOM 389 CA ASP A 103 -7.332 -0.752 1.121 1.00 0.00 C ATOM 390 C ASP A 103 -8.682 -1.152 0.534 1.00 0.00 C ATOM 391 O ASP A 103 -9.591 -1.552 1.260 1.00 0.00 O ATOM 392 CB ASP A 103 -7.081 0.739 0.885 1.00 0.00 C ATOM 393 CG ASP A 103 -8.121 1.614 1.556 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.303 1.545 1.157 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.754 2.368 2.481 1.00 0.00 O ATOM 0 H ASP A 103 -5.402 -1.021 0.347 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.351 -0.944 2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.092 1.002 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.079 0.939 -0.186 1.00 0.00 H new ATOM 400 N GLY A 104 -8.805 -1.041 -0.785 1.00 0.00 N ATOM 401 CA GLY A 104 -10.047 -1.394 -1.447 1.00 0.00 C ATOM 402 C GLY A 104 -10.727 -2.587 -0.805 1.00 0.00 C ATOM 403 O GLY A 104 -11.954 -2.632 -0.703 1.00 0.00 O ATOM 0 H GLY A 104 -8.066 -0.713 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.723 -0.539 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.846 -1.615 -2.495 1.00 0.00 H new ATOM 407 N LEU A 105 -9.930 -3.558 -0.372 1.00 0.00 N ATOM 408 CA LEU A 105 -10.462 -4.759 0.263 1.00 0.00 C ATOM 409 C LEU A 105 -10.946 -4.459 1.677 1.00 0.00 C ATOM 410 O LEU A 105 -12.003 -4.931 2.097 1.00 0.00 O ATOM 411 CB LEU A 105 -9.396 -5.856 0.298 1.00 0.00 C ATOM 412 CG LEU A 105 -8.966 -6.418 -1.057 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.645 -7.161 -0.932 1.00 0.00 C ATOM 414 CD2 LEU A 105 -10.044 -7.334 -1.620 1.00 0.00 C ATOM 0 H LEU A 105 -8.913 -3.537 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.312 -5.105 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.514 -5.461 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.770 -6.679 0.908 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.827 -5.586 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.355 -7.554 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.876 -6.477 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.756 -7.985 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.721 -7.725 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.214 -8.162 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.969 -6.772 -1.747 1.00 0.00 H new ATOM 426 N PHE A 106 -10.168 -3.668 2.408 1.00 0.00 N ATOM 427 CA PHE A 106 -10.518 -3.303 3.776 1.00 0.00 C ATOM 428 C PHE A 106 -11.845 -2.550 3.815 1.00 0.00 C ATOM 429 O PHE A 106 -12.416 -2.333 4.883 1.00 0.00 O ATOM 430 CB PHE A 106 -9.413 -2.444 4.396 1.00 0.00 C ATOM 431 CG PHE A 106 -8.183 -3.224 4.763 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.350 -3.733 3.780 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.861 -3.449 6.092 1.00 0.00 C ATOM 434 CE1 PHE A 106 -6.217 -4.450 4.115 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.729 -4.165 6.433 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.907 -4.667 5.443 1.00 0.00 C ATOM 0 H PHE A 106 -9.291 -3.267 2.076 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.623 -4.221 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.138 -1.657 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.802 -1.954 5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.589 -3.568 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.502 -3.061 6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.575 -4.840 3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.487 -4.332 7.472 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.023 -5.228 5.707 1.00 0.00 H new ATOM 532 N LYS A 113 -8.674 -9.572 8.566 1.00 0.00 N ATOM 533 CA LYS A 113 -7.813 -10.647 9.046 1.00 0.00 C ATOM 534 C LYS A 113 -6.989 -11.235 7.905 1.00 0.00 C ATOM 535 O LYS A 113 -5.765 -11.105 7.879 1.00 0.00 O ATOM 536 CB LYS A 113 -8.652 -11.746 9.702 1.00 0.00 C ATOM 537 CG LYS A 113 -9.636 -11.225 10.736 1.00 0.00 C ATOM 538 CD LYS A 113 -8.933 -10.821 12.021 1.00 0.00 C ATOM 539 CE LYS A 113 -8.512 -9.359 11.990 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.591 -8.461 12.487 1.00 0.00 N ATOM 0 HA LYS A 113 -7.130 -10.229 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.201 -12.283 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.985 -12.466 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.173 -10.368 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -10.378 -11.993 10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.596 -10.992 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.056 -11.450 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.618 -9.225 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.247 -9.079 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.266 -7.474 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.436 -8.570 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.826 -8.711 13.469 1.00 0.00 H new ATOM 554 N HIS A 114 -7.669 -11.881 6.962 1.00 0.00 N ATOM 555 CA HIS A 114 -6.999 -12.486 5.817 1.00 0.00 C ATOM 556 C HIS A 114 -6.160 -11.454 5.069 1.00 0.00 C ATOM 557 O HIS A 114 -5.107 -11.776 4.517 1.00 0.00 O ATOM 558 CB HIS A 114 -8.026 -13.109 4.870 1.00 0.00 C ATOM 559 CG HIS A 114 -8.885 -12.100 4.171 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.749 -11.257 4.837 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.008 -11.801 2.857 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.368 -10.484 3.963 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.936 -10.794 2.754 1.00 0.00 N ATOM 0 H HIS A 114 -8.682 -11.998 6.969 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.335 -13.267 6.187 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.504 -13.708 4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.664 -13.788 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.476 -12.267 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.102 -9.727 4.197 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.242 -10.356 1.885 1.00 0.00 H new ATOM 571 N LEU A 115 -6.634 -10.213 5.055 1.00 0.00 N ATOM 572 CA LEU A 115 -5.928 -9.133 4.375 1.00 0.00 C ATOM 573 C LEU A 115 -4.570 -8.877 5.022 1.00 0.00 C ATOM 574 O LEU A 115 -3.542 -8.862 4.345 1.00 0.00 O ATOM 575 CB LEU A 115 -6.766 -7.854 4.400 1.00 0.00 C ATOM 576 CG LEU A 115 -8.122 -7.926 3.696 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.945 -6.683 3.995 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.936 -8.096 2.195 1.00 0.00 C ATOM 0 H LEU A 115 -7.504 -9.930 5.507 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.766 -9.434 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.933 -7.573 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.184 -7.053 3.944 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.661 -8.794 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.906 -6.752 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.108 -6.605 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.411 -5.800 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.911 -8.145 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.377 -7.248 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.386 -9.017 1.998 1.00 0.00 H new ATOM 590 N TRP A 116 -4.575 -8.679 6.335 1.00 0.00 N ATOM 591 CA TRP A 116 -3.343 -8.426 7.073 1.00 0.00 C ATOM 592 C TRP A 116 -2.326 -9.537 6.833 1.00 0.00 C ATOM 593 O TRP A 116 -1.138 -9.273 6.649 1.00 0.00 O ATOM 594 CB TRP A 116 -3.637 -8.303 8.569 1.00 0.00 C ATOM 595 CG TRP A 116 -4.170 -6.957 8.961 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.319 -6.700 9.653 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.574 -5.686 8.681 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.473 -5.345 9.820 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.416 -4.701 9.234 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.411 -5.283 8.020 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -4.130 -3.341 9.143 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.129 -3.933 7.930 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.985 -2.975 8.490 1.00 0.00 C ATOM 0 H TRP A 116 -5.417 -8.689 6.910 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.920 -7.488 6.714 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.358 -9.069 8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.723 -8.501 9.129 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -6.005 -7.451 10.015 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.249 -4.892 10.302 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.744 -6.014 7.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.789 -2.601 9.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.234 -3.611 7.419 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.736 -1.928 8.404 1.00 0.00 H new ATOM 614 N GLU A 117 -2.801 -10.779 6.835 1.00 0.00 N ATOM 615 CA GLU A 117 -1.931 -11.928 6.617 1.00 0.00 C ATOM 616 C GLU A 117 -1.313 -11.887 5.223 1.00 0.00 C ATOM 617 O GLU A 117 -0.174 -12.310 5.025 1.00 0.00 O ATOM 618 CB GLU A 117 -2.714 -13.230 6.801 1.00 0.00 C ATOM 619 CG GLU A 117 -3.298 -13.398 8.194 1.00 0.00 C ATOM 620 CD GLU A 117 -2.257 -13.804 9.218 1.00 0.00 C ATOM 621 OE1 GLU A 117 -1.437 -14.695 8.909 1.00 0.00 O ATOM 622 OE2 GLU A 117 -2.261 -13.232 10.328 1.00 0.00 O ATOM 0 H GLU A 117 -3.782 -11.014 6.985 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.128 -11.887 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.523 -13.264 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.056 -14.073 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.762 -12.462 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.086 -14.150 8.165 1.00 0.00 H new ATOM 629 N GLN A 118 -2.073 -11.374 4.260 1.00 0.00 N ATOM 630 CA GLN A 118 -1.601 -11.279 2.884 1.00 0.00 C ATOM 631 C GLN A 118 -0.479 -10.253 2.764 1.00 0.00 C ATOM 632 O GLN A 118 0.613 -10.566 2.289 1.00 0.00 O ATOM 633 CB GLN A 118 -2.754 -10.903 1.951 1.00 0.00 C ATOM 634 CG GLN A 118 -3.534 -12.101 1.435 1.00 0.00 C ATOM 635 CD GLN A 118 -4.301 -11.794 0.164 1.00 0.00 C ATOM 636 OE1 GLN A 118 -3.888 -10.954 -0.637 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.424 -12.474 -0.029 1.00 0.00 N ATOM 0 H GLN A 118 -3.017 -11.018 4.408 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.211 -12.254 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.436 -10.236 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.357 -10.346 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.846 -12.925 1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.231 -12.435 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.729 -13.161 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.982 -12.310 -0.867 1.00 0.00 H new ATOM 646 N ILE A 119 -0.755 -9.027 3.197 1.00 0.00 N ATOM 647 CA ILE A 119 0.231 -7.956 3.138 1.00 0.00 C ATOM 648 C ILE A 119 1.572 -8.412 3.702 1.00 0.00 C ATOM 649 O ILE A 119 2.623 -8.170 3.108 1.00 0.00 O ATOM 650 CB ILE A 119 -0.242 -6.712 3.912 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.371 -6.011 3.152 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.920 -5.757 4.142 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.211 -5.102 4.022 1.00 0.00 C ATOM 0 H ILE A 119 -1.654 -8.751 3.593 1.00 0.00 H new ATOM 0 HA ILE A 119 0.351 -7.696 2.086 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.624 -7.030 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.942 -5.427 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.015 -6.764 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.569 -4.883 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.696 -6.260 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.329 -5.443 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.991 -4.639 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.669 -5.685 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.579 -4.327 4.455 1.00 0.00 H new ATOM 665 N SER A 120 1.529 -9.075 4.853 1.00 0.00 N ATOM 666 CA SER A 120 2.741 -9.564 5.500 1.00 0.00 C ATOM 667 C SER A 120 3.472 -10.558 4.603 1.00 0.00 C ATOM 668 O SER A 120 4.629 -10.347 4.237 1.00 0.00 O ATOM 669 CB SER A 120 2.400 -10.223 6.838 1.00 0.00 C ATOM 670 OG SER A 120 1.731 -11.457 6.644 1.00 0.00 O ATOM 0 H SER A 120 0.668 -9.286 5.357 1.00 0.00 H new ATOM 0 HA SER A 120 3.397 -8.712 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.314 -10.387 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.772 -9.554 7.427 1.00 0.00 H new ATOM 0 HG SER A 120 0.931 -11.313 6.097 1.00 0.00 H new ATOM 676 N SER A 121 2.789 -11.643 4.252 1.00 0.00 N ATOM 677 CA SER A 121 3.374 -12.673 3.401 1.00 0.00 C ATOM 678 C SER A 121 4.082 -12.049 2.203 1.00 0.00 C ATOM 679 O SER A 121 5.174 -12.472 1.823 1.00 0.00 O ATOM 680 CB SER A 121 2.292 -13.642 2.921 1.00 0.00 C ATOM 681 OG SER A 121 2.860 -14.864 2.483 1.00 0.00 O ATOM 0 H SER A 121 1.830 -11.832 4.544 1.00 0.00 H new ATOM 0 HA SER A 121 4.109 -13.223 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.587 -13.834 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.727 -13.187 2.107 1.00 0.00 H new ATOM 0 HG SER A 121 2.148 -15.467 2.183 1.00 0.00 H new ATOM 687 N LYS A 122 3.453 -11.040 1.611 1.00 0.00 N ATOM 688 CA LYS A 122 4.021 -10.355 0.456 1.00 0.00 C ATOM 689 C LYS A 122 5.392 -9.775 0.787 1.00 0.00 C ATOM 690 O LYS A 122 6.382 -10.076 0.121 1.00 0.00 O ATOM 691 CB LYS A 122 3.084 -9.241 -0.015 1.00 0.00 C ATOM 692 CG LYS A 122 1.839 -9.750 -0.720 1.00 0.00 C ATOM 693 CD LYS A 122 0.835 -8.634 -0.957 1.00 0.00 C ATOM 694 CE LYS A 122 -0.327 -9.102 -1.818 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.219 -7.975 -2.207 1.00 0.00 N ATOM 0 H LYS A 122 2.548 -10.678 1.912 1.00 0.00 H new ATOM 0 HA LYS A 122 4.139 -11.085 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.785 -8.642 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.629 -8.581 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.118 -10.198 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.377 -10.535 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.458 -8.274 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.332 -7.793 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.058 -9.587 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.904 -9.850 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.573 -8.130 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.022 -7.924 -1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.686 -7.083 -2.173 1.00 0.00 H new ATOM 709 N MET A 123 5.442 -8.942 1.822 1.00 0.00 N ATOM 710 CA MET A 123 6.693 -8.322 2.243 1.00 0.00 C ATOM 711 C MET A 123 7.825 -9.344 2.270 1.00 0.00 C ATOM 712 O MET A 123 8.842 -9.176 1.597 1.00 0.00 O ATOM 713 CB MET A 123 6.532 -7.686 3.625 1.00 0.00 C ATOM 714 CG MET A 123 5.552 -6.523 3.648 1.00 0.00 C ATOM 715 SD MET A 123 5.596 -5.610 5.202 1.00 0.00 S ATOM 716 CE MET A 123 7.205 -4.830 5.092 1.00 0.00 C ATOM 0 H MET A 123 4.632 -8.681 2.384 1.00 0.00 H new ATOM 0 HA MET A 123 6.945 -7.546 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 123 6.197 -8.447 4.329 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.505 -7.338 3.971 1.00 0.00 H new ATOM 0 HG2 MET A 123 5.780 -5.845 2.826 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.543 -6.900 3.481 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.847 -5.207 5.888 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.654 -5.057 4.125 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.094 -3.751 5.196 1.00 0.00 H new ATOM 726 N ARG A 124 7.641 -10.403 3.052 1.00 0.00 N ATOM 727 CA ARG A 124 8.648 -11.451 3.167 1.00 0.00 C ATOM 728 C ARG A 124 9.104 -11.921 1.789 1.00 0.00 C ATOM 729 O ARG A 124 10.287 -12.179 1.571 1.00 0.00 O ATOM 730 CB ARG A 124 8.094 -12.634 3.963 1.00 0.00 C ATOM 731 CG ARG A 124 9.155 -13.396 4.740 1.00 0.00 C ATOM 732 CD ARG A 124 8.734 -14.835 4.994 1.00 0.00 C ATOM 733 NE ARG A 124 9.564 -15.477 6.009 1.00 0.00 N ATOM 734 CZ ARG A 124 9.365 -15.341 7.315 1.00 0.00 C ATOM 735 NH1 ARG A 124 8.369 -14.589 7.763 1.00 0.00 N ATOM 736 NH2 ARG A 124 10.164 -15.957 8.177 1.00 0.00 N ATOM 0 H ARG A 124 6.805 -10.558 3.615 1.00 0.00 H new ATOM 0 HA ARG A 124 9.508 -11.037 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.337 -12.271 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.595 -13.320 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.093 -13.383 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.340 -12.897 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.691 -14.857 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 124 8.796 -15.400 4.064 1.00 0.00 H new ATOM 0 HE ARG A 124 10.339 -16.062 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.753 -14.113 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.219 -14.487 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 124 10.932 -16.536 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 124 10.010 -15.852 9.180 1.00 0.00 H new ATOM 750 N GLU A 125 8.156 -12.030 0.863 1.00 0.00 N ATOM 751 CA GLU A 125 8.461 -12.470 -0.493 1.00 0.00 C ATOM 752 C GLU A 125 9.337 -11.448 -1.213 1.00 0.00 C ATOM 753 O GLU A 125 10.270 -11.809 -1.931 1.00 0.00 O ATOM 754 CB GLU A 125 7.170 -12.697 -1.283 1.00 0.00 C ATOM 755 CG GLU A 125 6.341 -13.862 -0.771 1.00 0.00 C ATOM 756 CD GLU A 125 6.838 -15.201 -1.280 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.374 -15.244 -2.407 1.00 0.00 O ATOM 758 OE2 GLU A 125 6.693 -16.205 -0.552 1.00 0.00 O ATOM 0 H GLU A 125 7.172 -11.820 1.027 1.00 0.00 H new ATOM 0 HA GLU A 125 9.008 -13.410 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.567 -11.789 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.420 -12.872 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.357 -13.863 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.303 -13.725 -1.074 1.00 0.00 H new ATOM 765 N LYS A 126 9.030 -10.171 -1.015 1.00 0.00 N ATOM 766 CA LYS A 126 9.788 -9.095 -1.643 1.00 0.00 C ATOM 767 C LYS A 126 11.190 -9.000 -1.050 1.00 0.00 C ATOM 768 O LYS A 126 12.113 -8.501 -1.693 1.00 0.00 O ATOM 769 CB LYS A 126 9.058 -7.761 -1.470 1.00 0.00 C ATOM 770 CG LYS A 126 7.588 -7.818 -1.850 1.00 0.00 C ATOM 771 CD LYS A 126 7.400 -7.778 -3.357 1.00 0.00 C ATOM 772 CE LYS A 126 7.380 -9.177 -3.954 1.00 0.00 C ATOM 773 NZ LYS A 126 6.020 -9.783 -3.902 1.00 0.00 N ATOM 0 H LYS A 126 8.261 -9.855 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 126 9.876 -9.319 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.144 -7.441 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.553 -7.004 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.143 -8.730 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.061 -6.980 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.467 -7.267 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.205 -7.200 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.720 -9.135 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.082 -9.812 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.048 -10.736 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.706 -9.847 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.355 -9.190 -4.439 1.00 0.00 H new ATOM 787 N GLY A 127 11.343 -9.482 0.179 1.00 0.00 N ATOM 788 CA GLY A 127 12.636 -9.443 0.836 1.00 0.00 C ATOM 789 C GLY A 127 12.556 -8.876 2.240 1.00 0.00 C ATOM 790 O GLY A 127 13.569 -8.762 2.930 1.00 0.00 O ATOM 0 H GLY A 127 10.594 -9.899 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.050 -10.451 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.324 -8.840 0.243 1.00 0.00 H new ATOM 794 N PHE A 128 11.348 -8.519 2.664 1.00 0.00 N ATOM 795 CA PHE A 128 11.140 -7.958 3.994 1.00 0.00 C ATOM 796 C PHE A 128 10.287 -8.891 4.850 1.00 0.00 C ATOM 797 O PHE A 128 9.076 -8.996 4.654 1.00 0.00 O ATOM 798 CB PHE A 128 10.471 -6.586 3.893 1.00 0.00 C ATOM 799 CG PHE A 128 11.271 -5.586 3.108 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.620 -5.402 3.366 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.673 -4.829 2.113 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.358 -4.482 2.645 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.407 -3.909 1.389 1.00 0.00 C ATOM 804 CZ PHE A 128 12.751 -3.734 1.656 1.00 0.00 C ATOM 0 H PHE A 128 10.499 -8.608 2.106 1.00 0.00 H new ATOM 0 HA PHE A 128 12.114 -7.845 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.492 -6.701 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.303 -6.197 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 128 13.100 -5.984 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.622 -4.960 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.409 -4.348 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.930 -3.327 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 128 13.326 -3.014 1.092 1.00 0.00 H new ATOM 814 N ASP A 129 10.928 -9.565 5.798 1.00 0.00 N ATOM 815 CA ASP A 129 10.230 -10.488 6.685 1.00 0.00 C ATOM 816 C ASP A 129 9.749 -9.773 7.944 1.00 0.00 C ATOM 817 O ASP A 129 10.542 -9.456 8.831 1.00 0.00 O ATOM 818 CB ASP A 129 11.143 -11.655 7.064 1.00 0.00 C ATOM 819 CG ASP A 129 10.681 -12.369 8.319 1.00 0.00 C ATOM 820 OD1 ASP A 129 9.459 -12.388 8.574 1.00 0.00 O ATOM 821 OD2 ASP A 129 11.541 -12.907 9.046 1.00 0.00 O ATOM 0 H ASP A 129 11.930 -9.490 5.972 1.00 0.00 H new ATOM 0 HA ASP A 129 9.361 -10.875 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.181 -12.366 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.157 -11.285 7.213 1.00 0.00 H new ATOM 826 N ARG A 130 8.446 -9.522 8.015 1.00 0.00 N ATOM 827 CA ARG A 130 7.860 -8.842 9.164 1.00 0.00 C ATOM 828 C ARG A 130 6.499 -9.438 9.512 1.00 0.00 C ATOM 829 O ARG A 130 5.618 -9.540 8.657 1.00 0.00 O ATOM 830 CB ARG A 130 7.716 -7.346 8.880 1.00 0.00 C ATOM 831 CG ARG A 130 8.998 -6.559 9.096 1.00 0.00 C ATOM 832 CD ARG A 130 9.233 -6.271 10.570 1.00 0.00 C ATOM 833 NE ARG A 130 10.563 -5.719 10.815 1.00 0.00 N ATOM 834 CZ ARG A 130 11.653 -6.465 10.960 1.00 0.00 C ATOM 835 NH1 ARG A 130 11.571 -7.786 10.883 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.828 -5.889 11.180 1.00 0.00 N ATOM 0 H ARG A 130 7.776 -9.779 7.290 1.00 0.00 H new ATOM 0 HA ARG A 130 8.527 -8.980 10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.386 -7.210 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.936 -6.936 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.842 -7.119 8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.947 -5.620 8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.478 -5.570 10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.111 -7.190 11.143 1.00 0.00 H new ATOM 0 HE ARG A 130 10.660 -4.706 10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 130 10.670 -8.232 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 130 12.409 -8.356 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 130 12.895 -4.873 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.664 -6.462 11.291 1.00 0.00 H new ATOM 850 N SER A 131 6.334 -9.830 10.771 1.00 0.00 N ATOM 851 CA SER A 131 5.082 -10.419 11.231 1.00 0.00 C ATOM 852 C SER A 131 3.893 -9.556 10.822 1.00 0.00 C ATOM 853 O SER A 131 4.013 -8.350 10.606 1.00 0.00 O ATOM 854 CB SER A 131 5.103 -10.592 12.751 1.00 0.00 C ATOM 855 OG SER A 131 4.591 -9.442 13.402 1.00 0.00 O ATOM 0 H SER A 131 7.052 -9.750 11.491 1.00 0.00 H new ATOM 0 HA SER A 131 4.976 -11.398 10.763 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.512 -11.465 13.029 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.124 -10.779 13.085 1.00 0.00 H new ATOM 0 HG SER A 131 3.775 -9.679 13.891 1.00 0.00 H new ATOM 861 N PRO A 132 2.714 -10.187 10.713 1.00 0.00 N ATOM 862 CA PRO A 132 1.479 -9.497 10.330 1.00 0.00 C ATOM 863 C PRO A 132 0.982 -8.551 11.417 1.00 0.00 C ATOM 864 O PRO A 132 0.437 -7.485 11.127 1.00 0.00 O ATOM 865 CB PRO A 132 0.484 -10.641 10.121 1.00 0.00 C ATOM 866 CG PRO A 132 0.999 -11.751 10.970 1.00 0.00 C ATOM 867 CD PRO A 132 2.497 -11.623 10.955 1.00 0.00 C ATOM 0 HA PRO A 132 1.619 -8.869 9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.523 -10.349 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.433 -10.935 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.611 -11.677 11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.686 -12.719 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 132 2.937 -11.942 11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 132 2.945 -12.235 10.172 1.00 0.00 H new ATOM 875 N THR A 133 1.174 -8.946 12.672 1.00 0.00 N ATOM 876 CA THR A 133 0.745 -8.134 13.804 1.00 0.00 C ATOM 877 C THR A 133 1.458 -6.786 13.814 1.00 0.00 C ATOM 878 O THR A 133 0.826 -5.741 13.966 1.00 0.00 O ATOM 879 CB THR A 133 1.007 -8.851 15.141 1.00 0.00 C ATOM 880 OG1 THR A 133 2.172 -9.677 15.035 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.189 -9.701 15.543 1.00 0.00 C ATOM 0 H THR A 133 1.624 -9.824 12.930 1.00 0.00 H new ATOM 0 HA THR A 133 -0.327 -7.974 13.691 1.00 0.00 H new ATOM 0 HB THR A 133 1.168 -8.094 15.908 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.332 -10.128 15.890 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.020 -10.198 16.491 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.067 -9.065 15.653 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.378 -10.450 14.774 1.00 0.00 H new ATOM 889 N MET A 134 2.776 -6.818 13.652 1.00 0.00 N ATOM 890 CA MET A 134 3.574 -5.597 13.642 1.00 0.00 C ATOM 891 C MET A 134 3.009 -4.587 12.649 1.00 0.00 C ATOM 892 O MET A 134 2.911 -3.396 12.948 1.00 0.00 O ATOM 893 CB MET A 134 5.029 -5.916 13.290 1.00 0.00 C ATOM 894 CG MET A 134 5.706 -6.842 14.288 1.00 0.00 C ATOM 895 SD MET A 134 6.320 -5.968 15.741 1.00 0.00 S ATOM 896 CE MET A 134 7.550 -4.899 14.998 1.00 0.00 C ATOM 0 H MET A 134 3.314 -7.675 13.526 1.00 0.00 H new ATOM 0 HA MET A 134 3.536 -5.160 14.640 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.063 -6.373 12.301 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.593 -4.985 13.230 1.00 0.00 H new ATOM 0 HG2 MET A 134 4.999 -7.610 14.602 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.535 -7.353 13.799 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.498 -5.015 15.523 1.00 0.00 H new ATOM 0 HE2 MET A 134 7.681 -5.168 13.950 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.221 -3.862 15.068 1.00 0.00 H new ATOM 906 N CYS A 135 2.638 -5.069 11.468 1.00 0.00 N ATOM 907 CA CYS A 135 2.083 -4.207 10.430 1.00 0.00 C ATOM 908 C CYS A 135 0.761 -3.595 10.881 1.00 0.00 C ATOM 909 O CYS A 135 0.471 -2.433 10.593 1.00 0.00 O ATOM 910 CB CYS A 135 1.879 -4.997 9.137 1.00 0.00 C ATOM 911 SG CYS A 135 3.350 -5.885 8.574 1.00 0.00 S ATOM 0 H CYS A 135 2.711 -6.052 11.205 1.00 0.00 H new ATOM 0 HA CYS A 135 2.792 -3.400 10.245 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.070 -5.713 9.285 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.559 -4.312 8.352 1.00 0.00 H new ATOM 0 HG CYS A 135 3.606 -6.863 9.392 1.00 0.00 H new ATOM 917 N THR A 136 -0.040 -4.386 11.589 1.00 0.00 N ATOM 918 CA THR A 136 -1.333 -3.924 12.077 1.00 0.00 C ATOM 919 C THR A 136 -1.171 -2.747 13.032 1.00 0.00 C ATOM 920 O THR A 136 -1.758 -1.684 12.828 1.00 0.00 O ATOM 921 CB THR A 136 -2.098 -5.051 12.795 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.524 -6.035 11.846 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.306 -4.499 13.537 1.00 0.00 C ATOM 0 H THR A 136 0.185 -5.350 11.837 1.00 0.00 H new ATOM 0 HA THR A 136 -1.904 -3.606 11.205 1.00 0.00 H new ATOM 0 HB THR A 136 -1.426 -5.511 13.519 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.903 -5.589 11.060 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.830 -5.314 14.036 1.00 0.00 H new ATOM 0 HG22 THR A 136 -2.976 -3.772 14.279 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.978 -4.015 12.828 1.00 0.00 H new ATOM 931 N ASP A 137 -0.372 -2.943 14.075 1.00 0.00 N ATOM 932 CA ASP A 137 -0.131 -1.896 15.062 1.00 0.00 C ATOM 933 C ASP A 137 0.587 -0.709 14.429 1.00 0.00 C ATOM 934 O ASP A 137 0.184 0.441 14.606 1.00 0.00 O ATOM 935 CB ASP A 137 0.692 -2.445 16.228 1.00 0.00 C ATOM 936 CG ASP A 137 0.395 -1.731 17.532 1.00 0.00 C ATOM 937 OD1 ASP A 137 0.217 -0.496 17.505 1.00 0.00 O ATOM 938 OD2 ASP A 137 0.342 -2.408 18.581 1.00 0.00 O ATOM 0 H ASP A 137 0.120 -3.817 14.259 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.096 -1.555 15.438 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.487 -3.509 16.345 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.753 -2.348 15.998 1.00 0.00 H new ATOM 943 N LYS A 138 1.656 -0.994 13.693 1.00 0.00 N ATOM 944 CA LYS A 138 2.432 0.050 13.034 1.00 0.00 C ATOM 945 C LYS A 138 1.546 0.896 12.125 1.00 0.00 C ATOM 946 O LYS A 138 1.701 2.115 12.052 1.00 0.00 O ATOM 947 CB LYS A 138 3.570 -0.570 12.220 1.00 0.00 C ATOM 948 CG LYS A 138 4.256 0.413 11.287 1.00 0.00 C ATOM 949 CD LYS A 138 5.009 1.483 12.060 1.00 0.00 C ATOM 950 CE LYS A 138 6.029 2.191 11.182 1.00 0.00 C ATOM 951 NZ LYS A 138 7.185 2.698 11.973 1.00 0.00 N ATOM 0 H LYS A 138 2.005 -1.940 13.538 1.00 0.00 H new ATOM 0 HA LYS A 138 2.853 0.696 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.310 -0.986 12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.176 -1.400 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.948 -0.123 10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.513 0.883 10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.302 2.211 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.514 1.030 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.387 1.504 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.549 3.023 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.858 3.174 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.847 3.373 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.659 1.902 12.445 1.00 0.00 H new ATOM 965 N TRP A 139 0.616 0.242 11.438 1.00 0.00 N ATOM 966 CA TRP A 139 -0.296 0.936 10.536 1.00 0.00 C ATOM 967 C TRP A 139 -1.134 1.961 11.291 1.00 0.00 C ATOM 968 O TRP A 139 -1.201 3.128 10.904 1.00 0.00 O ATOM 969 CB TRP A 139 -1.210 -0.068 9.831 1.00 0.00 C ATOM 970 CG TRP A 139 -2.294 0.580 9.024 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.614 0.684 9.359 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.151 1.213 7.748 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.300 1.343 8.368 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.426 1.678 7.369 1.00 0.00 C ATOM 975 CE3 TRP A 139 -1.071 1.433 6.889 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.646 2.349 6.168 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.291 2.098 5.698 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.570 2.551 5.347 1.00 0.00 C ATOM 0 H TRP A 139 0.474 -0.767 11.488 1.00 0.00 H new ATOM 0 HA TRP A 139 0.300 1.461 9.790 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.608 -0.699 9.177 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.663 -0.722 10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.054 0.304 10.269 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.299 1.549 8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.081 1.089 7.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.631 2.697 5.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.463 2.272 5.026 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.709 3.070 4.410 1.00 0.00 H new ATOM 989 N ARG A 140 -1.771 1.519 12.370 1.00 0.00 N ATOM 990 CA ARG A 140 -2.606 2.399 13.179 1.00 0.00 C ATOM 991 C ARG A 140 -1.846 3.664 13.567 1.00 0.00 C ATOM 992 O ARG A 140 -2.380 4.769 13.490 1.00 0.00 O ATOM 993 CB ARG A 140 -3.081 1.671 14.438 1.00 0.00 C ATOM 994 CG ARG A 140 -4.394 0.929 14.253 1.00 0.00 C ATOM 995 CD ARG A 140 -4.175 -0.448 13.646 1.00 0.00 C ATOM 996 NE ARG A 140 -5.389 -1.259 13.674 1.00 0.00 N ATOM 997 CZ ARG A 140 -6.408 -1.085 12.838 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.357 -0.136 11.914 1.00 0.00 N ATOM 999 NH2 ARG A 140 -7.479 -1.863 12.926 1.00 0.00 N ATOM 0 H ARG A 140 -1.725 0.557 12.705 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.473 2.684 12.583 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.314 0.962 14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.193 2.395 15.246 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.895 0.828 15.216 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.054 1.511 13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -3.835 -0.340 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.383 -0.962 14.191 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.459 -1.999 14.373 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.534 0.463 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.140 -0.005 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.521 -2.595 13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.261 -1.729 12.284 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.595 3.493 13.984 1.00 0.00 N ATOM 1014 CA ASN A 141 0.238 4.620 14.384 1.00 0.00 C ATOM 1015 C ASN A 141 0.388 5.619 13.240 1.00 0.00 C ATOM 1016 O ASN A 141 0.335 6.832 13.450 1.00 0.00 O ATOM 1017 CB ASN A 141 1.617 4.129 14.831 1.00 0.00 C ATOM 1018 CG ASN A 141 2.264 5.061 15.837 1.00 0.00 C ATOM 1019 OD1 ASN A 141 2.589 6.206 15.521 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.454 4.574 17.058 1.00 0.00 N ATOM 0 H ASN A 141 -0.137 2.584 14.053 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.250 5.122 15.220 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.522 3.136 15.269 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.265 4.032 13.960 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.885 5.155 17.777 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.169 3.619 17.276 1.00 0.00 H new ATOM 1027 N LEU A 142 0.575 5.102 12.031 1.00 0.00 N ATOM 1028 CA LEU A 142 0.732 5.947 10.853 1.00 0.00 C ATOM 1029 C LEU A 142 -0.477 6.859 10.672 1.00 0.00 C ATOM 1030 O LEU A 142 -0.334 8.046 10.376 1.00 0.00 O ATOM 1031 CB LEU A 142 0.926 5.085 9.604 1.00 0.00 C ATOM 1032 CG LEU A 142 2.244 4.314 9.520 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.163 3.235 8.450 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.400 5.262 9.238 1.00 0.00 C ATOM 0 H LEU A 142 0.622 4.101 11.841 1.00 0.00 H new ATOM 0 HA LEU A 142 1.615 6.569 10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.105 4.370 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.847 5.728 8.727 1.00 0.00 H new ATOM 0 HG LEU A 142 2.423 3.832 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.110 2.696 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.361 2.539 8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.960 3.696 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.330 4.696 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.229 5.773 8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.471 5.997 10.039 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.667 6.298 10.855 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.902 7.061 10.715 1.00 0.00 C ATOM 1048 C LEU A 143 -2.951 8.209 11.718 1.00 0.00 C ATOM 1049 O LEU A 143 -3.369 9.319 11.389 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.114 6.148 10.909 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.071 4.810 10.169 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.250 3.939 10.573 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.063 5.034 8.664 1.00 0.00 C ATOM 0 H LEU A 143 -1.803 5.317 11.101 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.928 7.481 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.226 5.948 11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.006 6.688 10.591 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.152 4.293 10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.203 2.991 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.213 3.751 11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.181 4.450 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.032 4.072 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -4.965 5.572 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.186 5.620 8.388 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.517 7.935 12.944 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.507 8.944 13.996 1.00 0.00 C ATOM 1067 C LYS A 144 -1.675 10.154 13.582 1.00 0.00 C ATOM 1068 O LYS A 144 -2.140 11.291 13.653 1.00 0.00 O ATOM 1069 CB LYS A 144 -1.953 8.352 15.294 1.00 0.00 C ATOM 1070 CG LYS A 144 -3.007 7.672 16.151 1.00 0.00 C ATOM 1071 CD LYS A 144 -3.901 8.687 16.845 1.00 0.00 C ATOM 1072 CE LYS A 144 -3.191 9.344 18.019 1.00 0.00 C ATOM 1073 NZ LYS A 144 -3.314 8.537 19.264 1.00 0.00 N ATOM 0 H LYS A 144 -2.167 7.021 13.233 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.534 9.270 14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -1.174 7.630 15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.482 9.146 15.874 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.615 7.015 15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.521 7.044 16.897 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.209 9.451 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.808 8.195 17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -2.137 9.479 17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.609 10.337 18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -2.817 9.019 20.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.319 8.429 19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.892 7.599 19.112 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.445 9.900 13.148 1.00 0.00 N ATOM 1088 CA GLU A 145 0.450 10.969 12.722 1.00 0.00 C ATOM 1089 C GLU A 145 -0.083 11.658 11.469 1.00 0.00 C ATOM 1090 O GLU A 145 -0.153 12.885 11.403 1.00 0.00 O ATOM 1091 CB GLU A 145 1.852 10.416 12.456 1.00 0.00 C ATOM 1092 CG GLU A 145 2.445 9.668 13.638 1.00 0.00 C ATOM 1093 CD GLU A 145 2.634 10.554 14.854 1.00 0.00 C ATOM 1094 OE1 GLU A 145 1.619 10.931 15.478 1.00 0.00 O ATOM 1095 OE2 GLU A 145 3.796 10.871 15.182 1.00 0.00 O ATOM 0 H GLU A 145 -0.046 8.964 13.082 1.00 0.00 H new ATOM 0 HA GLU A 145 0.504 11.704 13.525 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.813 9.747 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.514 11.240 12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.794 8.834 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 145 3.407 9.244 13.349 1.00 0.00 H new