USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 32 LYS NZ :NH3+ -110:sc= 0.471 (180deg=0) USER MOD Set 1.2: A 33 ASN : amide:sc= 0.25 K(o=0.72,f=-0.73) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 136:sc= -0.176 (180deg=-0.482) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 172:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.985) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= 0.00275 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0611 K(o=-0.061,f=-2!) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0192 (180deg=-0.247) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 49 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -175:sc= 0 (180deg=-0.0303) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.812) USER MOD Single : A 76 MET CE :methyl -126:sc= 0 (180deg=-0.0236) USER MOD Single : A 77 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.23) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -3.019 -9.093 -8.314 1.00 0.00 N ATOM 84 CA TYR A 9 -2.605 -9.047 -6.919 1.00 0.00 C ATOM 85 C TYR A 9 -2.208 -10.413 -6.395 1.00 0.00 C ATOM 86 O TYR A 9 -1.260 -10.504 -5.619 1.00 0.00 O ATOM 87 CB TYR A 9 -3.713 -8.456 -6.032 1.00 0.00 C ATOM 88 CG TYR A 9 -5.100 -9.004 -6.298 1.00 0.00 C ATOM 89 CD1 TYR A 9 -5.828 -8.593 -7.435 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.626 -9.989 -5.445 1.00 0.00 C ATOM 91 CE1 TYR A 9 -7.033 -9.234 -7.771 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.846 -10.603 -5.751 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.533 -10.264 -6.937 1.00 0.00 C ATOM 94 OH TYR A 9 -8.652 -10.955 -7.282 1.00 0.00 O ATOM 0 HA TYR A 9 -1.729 -8.400 -6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.459 -8.639 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.732 -7.375 -6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.459 -7.784 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.088 -10.273 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.574 -8.943 -8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.263 -11.338 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.848 -11.624 -6.594 1.00 0.00 H new ATOM 104 N GLU A 10 -2.930 -11.463 -6.785 1.00 0.00 N ATOM 105 CA GLU A 10 -2.679 -12.809 -6.298 1.00 0.00 C ATOM 106 C GLU A 10 -1.300 -13.301 -6.753 1.00 0.00 C ATOM 107 O GLU A 10 -0.626 -13.997 -6.006 1.00 0.00 O ATOM 108 CB GLU A 10 -3.859 -13.745 -6.587 1.00 0.00 C ATOM 109 CG GLU A 10 -4.315 -13.921 -8.039 1.00 0.00 C ATOM 110 CD GLU A 10 -5.660 -14.657 -8.116 1.00 0.00 C ATOM 111 OE1 GLU A 10 -6.697 -13.977 -7.947 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.687 -15.889 -8.341 1.00 0.00 O ATOM 0 H GLU A 10 -3.703 -11.399 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.622 -12.802 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.603 -14.731 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.714 -13.388 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.405 -12.945 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.561 -14.478 -8.594 1.00 0.00 H new ATOM 119 N LEU A 11 -0.798 -12.784 -7.878 1.00 0.00 N ATOM 120 CA LEU A 11 0.601 -12.902 -8.298 1.00 0.00 C ATOM 121 C LEU A 11 1.543 -12.552 -7.134 1.00 0.00 C ATOM 122 O LEU A 11 2.426 -13.320 -6.750 1.00 0.00 O ATOM 123 CB LEU A 11 0.831 -11.978 -9.514 1.00 0.00 C ATOM 124 CG LEU A 11 1.988 -12.356 -10.460 1.00 0.00 C ATOM 125 CD1 LEU A 11 3.339 -12.574 -9.782 1.00 0.00 C ATOM 126 CD2 LEU A 11 1.664 -13.606 -11.276 1.00 0.00 C ATOM 0 H LEU A 11 -1.369 -12.258 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 11 0.820 -13.930 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.089 -11.947 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.009 -10.968 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 11 2.084 -11.479 -11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.085 -12.835 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.642 -11.659 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.256 -13.383 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.503 -13.841 -11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.484 -14.444 -10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.773 -13.427 -11.878 1.00 0.00 H new ATOM 138 N TYR A 12 1.334 -11.387 -6.528 1.00 0.00 N ATOM 139 CA TYR A 12 2.160 -10.858 -5.450 1.00 0.00 C ATOM 140 C TYR A 12 1.789 -11.471 -4.092 1.00 0.00 C ATOM 141 O TYR A 12 2.358 -11.088 -3.071 1.00 0.00 O ATOM 142 CB TYR A 12 2.076 -9.321 -5.444 1.00 0.00 C ATOM 143 CG TYR A 12 2.407 -8.617 -6.759 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.140 -9.262 -7.777 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.946 -7.305 -6.981 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.278 -8.680 -9.048 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.143 -6.681 -8.226 1.00 0.00 C ATOM 148 CZ TYR A 12 2.754 -7.390 -9.283 1.00 0.00 C ATOM 149 OH TYR A 12 2.838 -6.822 -10.515 1.00 0.00 O ATOM 0 H TYR A 12 0.564 -10.768 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 12 3.197 -11.142 -5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.067 -9.035 -5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.752 -8.945 -4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.602 -10.217 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.438 -6.774 -6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.781 -9.215 -9.840 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.827 -5.659 -8.374 1.00 0.00 H new ATOM 0 HH TYR A 12 2.425 -5.934 -10.494 1.00 0.00 H new ATOM 159 N MET A 13 0.863 -12.430 -4.024 1.00 0.00 N ATOM 160 CA MET A 13 0.676 -13.310 -2.889 1.00 0.00 C ATOM 161 C MET A 13 1.661 -14.485 -2.904 1.00 0.00 C ATOM 162 O MET A 13 1.716 -15.225 -1.919 1.00 0.00 O ATOM 163 CB MET A 13 -0.770 -13.819 -2.924 1.00 0.00 C ATOM 164 CG MET A 13 -1.523 -13.463 -1.659 1.00 0.00 C ATOM 165 SD MET A 13 -1.819 -11.697 -1.300 1.00 0.00 S ATOM 166 CE MET A 13 -2.895 -11.208 -2.684 1.00 0.00 C ATOM 0 H MET A 13 0.208 -12.614 -4.784 1.00 0.00 H new ATOM 0 HA MET A 13 0.869 -12.757 -1.970 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.284 -13.393 -3.785 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.771 -14.901 -3.055 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.491 -13.962 -1.696 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.978 -13.887 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.715 -10.596 -2.309 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.317 -10.635 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.298 -12.100 -3.164 1.00 0.00 H new ATOM 176 N TYR A 14 2.414 -14.690 -3.991 1.00 0.00 N ATOM 177 CA TYR A 14 3.279 -15.860 -4.188 1.00 0.00 C ATOM 178 C TYR A 14 4.767 -15.554 -4.003 1.00 0.00 C ATOM 179 O TYR A 14 5.589 -16.476 -3.936 1.00 0.00 O ATOM 180 CB TYR A 14 3.096 -16.372 -5.627 1.00 0.00 C ATOM 181 CG TYR A 14 1.667 -16.574 -6.106 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.640 -16.946 -5.215 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.378 -16.390 -7.469 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.675 -17.106 -5.677 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.063 -16.554 -7.939 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.970 -16.918 -7.045 1.00 0.00 C ATOM 187 OH TYR A 14 -2.241 -17.076 -7.504 1.00 0.00 O ATOM 0 H TYR A 14 2.440 -14.036 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 14 2.987 -16.593 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.585 -15.670 -6.302 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.623 -17.322 -5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.867 -17.109 -4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.167 -16.122 -8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.461 -17.373 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.158 -16.402 -8.985 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.264 -16.907 -8.469 1.00 0.00 H new ATOM 197 N ARG A 15 5.125 -14.271 -4.002 1.00 0.00 N ATOM 198 CA ARG A 15 6.458 -13.771 -4.314 1.00 0.00 C ATOM 199 C ARG A 15 6.870 -12.744 -3.260 1.00 0.00 C ATOM 200 O ARG A 15 6.068 -12.414 -2.384 1.00 0.00 O ATOM 201 CB ARG A 15 6.398 -13.182 -5.744 1.00 0.00 C ATOM 202 CG ARG A 15 7.357 -13.842 -6.739 1.00 0.00 C ATOM 203 CD ARG A 15 8.837 -13.677 -6.373 1.00 0.00 C ATOM 204 NE ARG A 15 9.697 -14.052 -7.507 1.00 0.00 N ATOM 205 CZ ARG A 15 10.523 -15.101 -7.594 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.797 -15.875 -6.547 1.00 0.00 N ATOM 207 NH2 ARG A 15 11.135 -15.356 -8.740 1.00 0.00 N ATOM 0 H ARG A 15 4.468 -13.525 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 15 7.214 -14.556 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.380 -13.277 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.621 -12.116 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.124 -14.905 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.187 -13.418 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.033 -12.644 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.075 -14.297 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 15 9.659 -13.440 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.372 -15.677 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.432 -16.667 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.975 -14.755 -9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.766 -16.154 -8.815 1.00 0.00 H new ATOM 221 N GLU A 16 8.104 -12.253 -3.320 1.00 0.00 N ATOM 222 CA GLU A 16 8.677 -11.311 -2.367 1.00 0.00 C ATOM 223 C GLU A 16 9.094 -10.053 -3.114 1.00 0.00 C ATOM 224 O GLU A 16 9.331 -10.075 -4.328 1.00 0.00 O ATOM 225 CB GLU A 16 9.914 -11.919 -1.683 1.00 0.00 C ATOM 226 CG GLU A 16 9.624 -12.903 -0.540 1.00 0.00 C ATOM 227 CD GLU A 16 8.758 -14.108 -0.927 1.00 0.00 C ATOM 228 OE1 GLU A 16 9.082 -14.785 -1.929 1.00 0.00 O ATOM 229 OE2 GLU A 16 7.768 -14.392 -0.210 1.00 0.00 O ATOM 0 H GLU A 16 8.756 -12.510 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 16 7.933 -11.078 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.509 -12.433 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.527 -11.107 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.572 -13.268 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.129 -12.363 0.267 1.00 0.00 H new ATOM 236 N VAL A 17 9.237 -8.962 -2.369 1.00 0.00 N ATOM 237 CA VAL A 17 9.559 -7.652 -2.912 1.00 0.00 C ATOM 238 C VAL A 17 10.235 -6.837 -1.816 1.00 0.00 C ATOM 239 O VAL A 17 9.899 -6.944 -0.631 1.00 0.00 O ATOM 240 CB VAL A 17 8.289 -6.990 -3.506 1.00 0.00 C ATOM 241 CG1 VAL A 17 7.061 -7.240 -2.633 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.433 -5.475 -3.712 1.00 0.00 C ATOM 0 H VAL A 17 9.130 -8.966 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 17 10.259 -7.723 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 17 8.160 -7.460 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.191 -6.760 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.883 -8.312 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.231 -6.826 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.509 -5.075 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.635 -4.995 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.257 -5.278 -4.398 1.00 0.00 H new ATOM 252 N ASP A 18 11.189 -6.005 -2.224 1.00 0.00 N ATOM 253 CA ASP A 18 11.903 -5.108 -1.337 1.00 0.00 C ATOM 254 C ASP A 18 11.040 -3.885 -1.078 1.00 0.00 C ATOM 255 O ASP A 18 11.017 -2.953 -1.881 1.00 0.00 O ATOM 256 CB ASP A 18 13.287 -4.757 -1.908 1.00 0.00 C ATOM 257 CG ASP A 18 14.319 -5.604 -1.177 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.311 -6.838 -1.387 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.972 -5.053 -0.258 1.00 0.00 O ATOM 0 H ASP A 18 11.488 -5.938 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 18 12.092 -5.596 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.320 -4.955 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.498 -3.696 -1.773 1.00 0.00 H new ATOM 264 N THR A 19 10.325 -3.875 0.047 1.00 0.00 N ATOM 265 CA THR A 19 9.421 -2.803 0.446 1.00 0.00 C ATOM 266 C THR A 19 10.132 -1.438 0.471 1.00 0.00 C ATOM 267 O THR A 19 9.510 -0.410 0.207 1.00 0.00 O ATOM 268 CB THR A 19 8.820 -3.153 1.826 1.00 0.00 C ATOM 269 OG1 THR A 19 9.851 -3.440 2.750 1.00 0.00 O ATOM 270 CG2 THR A 19 7.885 -4.370 1.783 1.00 0.00 C ATOM 0 H THR A 19 10.362 -4.637 0.724 1.00 0.00 H new ATOM 0 HA THR A 19 8.620 -2.716 -0.288 1.00 0.00 H new ATOM 0 HB THR A 19 8.242 -2.280 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.469 -3.532 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.495 -4.565 2.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.057 -4.169 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.438 -5.242 1.433 1.00 0.00 H new ATOM 278 N LEU A 20 11.432 -1.401 0.766 1.00 0.00 N ATOM 279 CA LEU A 20 12.232 -0.195 0.814 1.00 0.00 C ATOM 280 C LEU A 20 12.406 0.409 -0.577 1.00 0.00 C ATOM 281 O LEU A 20 12.346 1.631 -0.703 1.00 0.00 O ATOM 282 CB LEU A 20 13.601 -0.531 1.426 1.00 0.00 C ATOM 283 CG LEU A 20 13.724 -0.413 2.957 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.448 1.014 3.450 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.836 -1.419 3.704 1.00 0.00 C ATOM 0 H LEU A 20 11.967 -2.242 0.984 1.00 0.00 H new ATOM 0 HA LEU A 20 11.722 0.545 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.859 -1.551 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.346 0.124 0.974 1.00 0.00 H new ATOM 0 HG LEU A 20 14.761 -0.658 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.546 1.049 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.165 1.700 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.437 1.307 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.964 -1.289 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.792 -1.249 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.121 -2.433 3.424 1.00 0.00 H new ATOM 297 N GLU A 21 12.607 -0.421 -1.603 1.00 0.00 N ATOM 298 CA GLU A 21 12.787 0.006 -2.976 1.00 0.00 C ATOM 299 C GLU A 21 11.436 0.295 -3.624 1.00 0.00 C ATOM 300 O GLU A 21 11.311 1.279 -4.345 1.00 0.00 O ATOM 301 CB GLU A 21 13.551 -1.095 -3.720 1.00 0.00 C ATOM 302 CG GLU A 21 15.067 -0.850 -3.716 1.00 0.00 C ATOM 303 CD GLU A 21 15.432 0.440 -4.453 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.241 0.476 -5.683 1.00 0.00 O ATOM 305 OE2 GLU A 21 15.819 1.437 -3.797 1.00 0.00 O ATOM 0 H GLU A 21 12.649 -1.434 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 21 13.361 0.931 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.339 -2.059 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.196 -1.150 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.424 -0.796 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.573 -1.693 -4.185 1.00 0.00 H new ATOM 312 N LEU A 22 10.399 -0.482 -3.295 1.00 0.00 N ATOM 313 CA LEU A 22 9.026 -0.206 -3.708 1.00 0.00 C ATOM 314 C LEU A 22 8.661 1.218 -3.311 1.00 0.00 C ATOM 315 O LEU A 22 8.267 2.022 -4.147 1.00 0.00 O ATOM 316 CB LEU A 22 8.061 -1.202 -3.039 1.00 0.00 C ATOM 317 CG LEU A 22 6.580 -0.779 -3.157 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.099 -0.813 -4.598 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.720 -1.700 -2.306 1.00 0.00 C ATOM 0 H LEU A 22 10.493 -1.326 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 22 8.944 -0.316 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.190 -2.185 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.322 -1.301 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 22 6.493 0.248 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.053 -0.509 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.700 -0.130 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.199 -1.825 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.675 -1.402 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.833 -2.727 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.035 -1.632 -1.265 1.00 0.00 H new ATOM 331 N THR A 23 8.747 1.517 -2.015 1.00 0.00 N ATOM 332 CA THR A 23 8.319 2.803 -1.483 1.00 0.00 C ATOM 333 C THR A 23 9.123 3.925 -2.129 1.00 0.00 C ATOM 334 O THR A 23 8.572 4.975 -2.429 1.00 0.00 O ATOM 335 CB THR A 23 8.457 2.812 0.041 1.00 0.00 C ATOM 336 OG1 THR A 23 9.695 2.295 0.478 1.00 0.00 O ATOM 337 CG2 THR A 23 7.381 1.925 0.631 1.00 0.00 C ATOM 0 H THR A 23 9.114 0.876 -1.311 1.00 0.00 H new ATOM 0 HA THR A 23 7.268 2.966 -1.721 1.00 0.00 H new ATOM 0 HB THR A 23 8.374 3.850 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.638 1.319 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.467 1.922 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.400 2.305 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.500 0.909 0.255 1.00 0.00 H new ATOM 345 N ARG A 24 10.417 3.699 -2.346 1.00 0.00 N ATOM 346 CA ARG A 24 11.271 4.617 -3.113 1.00 0.00 C ATOM 347 C ARG A 24 10.713 4.893 -4.515 1.00 0.00 C ATOM 348 O ARG A 24 10.428 6.048 -4.811 1.00 0.00 O ATOM 349 CB ARG A 24 12.711 4.141 -3.181 1.00 0.00 C ATOM 350 CG ARG A 24 13.478 4.502 -1.898 1.00 0.00 C ATOM 351 CD ARG A 24 14.811 3.773 -1.940 1.00 0.00 C ATOM 352 NE ARG A 24 15.435 3.573 -0.619 1.00 0.00 N ATOM 353 CZ ARG A 24 16.060 2.448 -0.233 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.149 1.398 -1.040 1.00 0.00 N ATOM 355 NH2 ARG A 24 16.604 2.347 0.974 1.00 0.00 N ATOM 0 H ARG A 24 10.907 2.876 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 24 11.266 5.561 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.733 3.061 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.205 4.591 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.632 5.579 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.909 4.209 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.666 2.801 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.499 4.334 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 24 15.389 4.343 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.738 1.436 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.628 0.554 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.551 3.131 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.075 1.485 1.251 1.00 0.00 H new ATOM 369 N GLN A 25 10.517 3.874 -5.357 1.00 0.00 N ATOM 370 CA GLN A 25 9.955 4.021 -6.703 1.00 0.00 C ATOM 371 C GLN A 25 8.622 4.765 -6.683 1.00 0.00 C ATOM 372 O GLN A 25 8.382 5.637 -7.520 1.00 0.00 O ATOM 373 CB GLN A 25 9.797 2.637 -7.351 1.00 0.00 C ATOM 374 CG GLN A 25 11.092 2.125 -7.997 1.00 0.00 C ATOM 375 CD GLN A 25 10.835 1.724 -9.448 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.584 2.583 -10.298 1.00 0.00 O ATOM 377 NE2 GLN A 25 10.862 0.443 -9.757 1.00 0.00 N ATOM 0 H GLN A 25 10.748 2.909 -5.119 1.00 0.00 H new ATOM 0 HA GLN A 25 10.646 4.620 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.468 1.924 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.014 2.684 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.858 2.899 -7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.473 1.270 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.072 -0.251 -9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.673 0.145 -10.714 1.00 0.00 H new ATOM 386 N VAL A 26 7.760 4.427 -5.730 1.00 0.00 N ATOM 387 CA VAL A 26 6.497 5.098 -5.485 1.00 0.00 C ATOM 388 C VAL A 26 6.767 6.592 -5.235 1.00 0.00 C ATOM 389 O VAL A 26 6.253 7.423 -5.981 1.00 0.00 O ATOM 390 CB VAL A 26 5.794 4.332 -4.344 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.633 5.053 -3.651 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.301 2.969 -4.872 1.00 0.00 C ATOM 0 H VAL A 26 7.931 3.653 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 26 5.813 5.084 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 26 6.557 4.230 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.222 4.414 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.994 5.981 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.856 5.277 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.804 2.426 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.599 3.128 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.151 2.389 -5.231 1.00 0.00 H new ATOM 402 N LYS A 27 7.577 6.954 -4.232 1.00 0.00 N ATOM 403 CA LYS A 27 7.909 8.335 -3.902 1.00 0.00 C ATOM 404 C LYS A 27 8.485 9.096 -5.090 1.00 0.00 C ATOM 405 O LYS A 27 8.099 10.250 -5.292 1.00 0.00 O ATOM 406 CB LYS A 27 8.877 8.350 -2.714 1.00 0.00 C ATOM 407 CG LYS A 27 8.156 7.950 -1.420 1.00 0.00 C ATOM 408 CD LYS A 27 9.097 7.902 -0.211 1.00 0.00 C ATOM 409 CE LYS A 27 9.897 6.591 -0.141 1.00 0.00 C ATOM 410 NZ LYS A 27 10.630 6.424 1.139 1.00 0.00 N ATOM 0 H LYS A 27 8.027 6.276 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 27 6.988 8.851 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.703 7.664 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.308 9.345 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.352 8.659 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.693 6.973 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.788 8.744 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.515 8.018 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.217 5.750 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.608 6.562 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.328 5.659 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.119 7.310 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.957 6.186 1.896 1.00 0.00 H new ATOM 424 N GLU A 28 9.358 8.479 -5.880 1.00 0.00 N ATOM 425 CA GLU A 28 9.900 9.096 -7.085 1.00 0.00 C ATOM 426 C GLU A 28 8.782 9.367 -8.094 1.00 0.00 C ATOM 427 O GLU A 28 8.607 10.515 -8.489 1.00 0.00 O ATOM 428 CB GLU A 28 11.023 8.242 -7.690 1.00 0.00 C ATOM 429 CG GLU A 28 12.294 8.310 -6.824 1.00 0.00 C ATOM 430 CD GLU A 28 13.503 7.587 -7.436 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.413 7.061 -8.565 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.560 7.556 -6.748 1.00 0.00 O ATOM 0 H GLU A 28 9.709 7.538 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 28 10.343 10.054 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.692 7.207 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.247 8.590 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.554 9.356 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.080 7.876 -5.847 1.00 0.00 H new ATOM 439 N LYS A 29 7.962 8.376 -8.468 1.00 0.00 N ATOM 440 CA LYS A 29 6.870 8.601 -9.422 1.00 0.00 C ATOM 441 C LYS A 29 5.865 9.645 -8.914 1.00 0.00 C ATOM 442 O LYS A 29 5.299 10.397 -9.710 1.00 0.00 O ATOM 443 CB LYS A 29 6.215 7.281 -9.807 1.00 0.00 C ATOM 444 CG LYS A 29 5.180 7.514 -10.922 1.00 0.00 C ATOM 445 CD LYS A 29 4.936 6.238 -11.726 1.00 0.00 C ATOM 446 CE LYS A 29 5.843 6.199 -12.963 1.00 0.00 C ATOM 447 NZ LYS A 29 5.563 5.052 -13.854 1.00 0.00 N ATOM 0 H LYS A 29 8.034 7.417 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 29 7.295 9.026 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.973 6.574 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.731 6.838 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.242 7.856 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.529 8.304 -11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.126 5.366 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.891 6.189 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.721 7.125 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.884 6.156 -12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.457 4.684 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.083 4.303 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.952 5.361 -14.637 1.00 0.00 H new ATOM 461 N LEU A 30 5.639 9.717 -7.602 1.00 0.00 N ATOM 462 CA LEU A 30 4.798 10.742 -6.992 1.00 0.00 C ATOM 463 C LEU A 30 5.399 12.121 -7.233 1.00 0.00 C ATOM 464 O LEU A 30 4.701 13.001 -7.743 1.00 0.00 O ATOM 465 CB LEU A 30 4.605 10.478 -5.489 1.00 0.00 C ATOM 466 CG LEU A 30 3.683 9.281 -5.196 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.783 8.866 -3.726 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.222 9.610 -5.501 1.00 0.00 C ATOM 0 H LEU A 30 6.038 9.061 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 30 3.814 10.706 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.578 10.300 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.191 11.371 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 30 4.012 8.466 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.123 8.018 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.810 8.583 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.487 9.701 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.600 8.742 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.902 10.450 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.120 9.873 -6.554 1.00 0.00 H new ATOM 480 N ALA A 31 6.685 12.305 -6.919 1.00 0.00 N ATOM 481 CA ALA A 31 7.387 13.561 -7.169 1.00 0.00 C ATOM 482 C ALA A 31 7.350 13.914 -8.661 1.00 0.00 C ATOM 483 O ALA A 31 7.019 15.049 -9.006 1.00 0.00 O ATOM 484 CB ALA A 31 8.829 13.476 -6.655 1.00 0.00 C ATOM 0 H ALA A 31 7.265 11.587 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 31 6.880 14.359 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.340 14.419 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.822 13.280 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.351 12.669 -7.168 1.00 0.00 H new ATOM 490 N LYS A 32 7.631 12.930 -9.524 1.00 0.00 N ATOM 491 CA LYS A 32 7.689 13.011 -10.984 1.00 0.00 C ATOM 492 C LYS A 32 6.468 13.709 -11.549 1.00 0.00 C ATOM 493 O LYS A 32 6.610 14.588 -12.394 1.00 0.00 O ATOM 494 CB LYS A 32 7.820 11.583 -11.557 1.00 0.00 C ATOM 495 CG LYS A 32 8.233 11.467 -13.031 1.00 0.00 C ATOM 496 CD LYS A 32 7.123 11.072 -14.022 1.00 0.00 C ATOM 497 CE LYS A 32 6.178 12.224 -14.391 1.00 0.00 C ATOM 498 NZ LYS A 32 5.321 11.898 -15.549 1.00 0.00 N ATOM 0 H LYS A 32 7.839 11.988 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 32 8.557 13.604 -11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.549 11.041 -10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.863 11.077 -11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.648 12.424 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.035 10.732 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.583 10.687 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.538 10.259 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.550 12.464 -13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.765 13.115 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.615 12.466 -16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.414 10.887 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.330 12.111 -15.318 1.00 0.00 H new ATOM 512 N ASN A 33 5.270 13.253 -11.176 1.00 0.00 N ATOM 513 CA ASN A 33 4.026 13.830 -11.676 1.00 0.00 C ATOM 514 C ASN A 33 3.589 15.028 -10.840 1.00 0.00 C ATOM 515 O ASN A 33 2.832 15.862 -11.341 1.00 0.00 O ATOM 516 CB ASN A 33 2.912 12.767 -11.748 1.00 0.00 C ATOM 517 CG ASN A 33 2.854 12.113 -13.122 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.826 12.788 -14.146 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.889 10.796 -13.219 1.00 0.00 N ATOM 0 H ASN A 33 5.138 12.480 -10.524 1.00 0.00 H new ATOM 0 HA ASN A 33 4.214 14.189 -12.688 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.085 12.005 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.951 13.229 -11.523 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.893 10.352 -14.137 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.913 10.223 -12.376 1.00 0.00 H new ATOM 526 N GLY A 34 4.049 15.130 -9.593 1.00 0.00 N ATOM 527 CA GLY A 34 3.668 16.165 -8.651 1.00 0.00 C ATOM 528 C GLY A 34 2.374 15.773 -7.955 1.00 0.00 C ATOM 529 O GLY A 34 1.344 16.417 -8.174 1.00 0.00 O ATOM 0 H GLY A 34 4.720 14.468 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.459 16.309 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.539 17.114 -9.171 1.00 0.00 H new ATOM 533 N ILE A 35 2.438 14.699 -7.165 1.00 0.00 N ATOM 534 CA ILE A 35 1.323 14.051 -6.494 1.00 0.00 C ATOM 535 C ILE A 35 1.639 14.057 -5.003 1.00 0.00 C ATOM 536 O ILE A 35 2.644 13.488 -4.577 1.00 0.00 O ATOM 537 CB ILE A 35 1.102 12.630 -7.040 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.820 12.688 -8.555 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.068 11.955 -6.296 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.635 11.309 -9.186 1.00 0.00 C ATOM 0 H ILE A 35 3.325 14.235 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 35 0.390 14.584 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 35 2.003 12.039 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.077 13.283 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.644 13.200 -9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.217 10.949 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.162 11.898 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.977 12.540 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.440 11.420 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.540 10.719 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.207 10.803 -8.714 1.00 0.00 H new ATOM 552 N CYS A 36 0.775 14.688 -4.208 1.00 0.00 N ATOM 553 CA CYS A 36 0.885 14.639 -2.760 1.00 0.00 C ATOM 554 C CYS A 36 0.751 13.190 -2.300 1.00 0.00 C ATOM 555 O CYS A 36 -0.243 12.513 -2.585 1.00 0.00 O ATOM 556 CB CYS A 36 -0.215 15.480 -2.130 1.00 0.00 C ATOM 557 SG CYS A 36 -0.081 15.568 -0.324 1.00 0.00 S ATOM 0 H CYS A 36 -0.011 15.241 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 36 1.853 15.035 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.177 16.488 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.185 15.062 -2.398 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.046 16.300 0.148 1.00 0.00 H new ATOM 563 N GLN A 37 1.742 12.735 -1.547 1.00 0.00 N ATOM 564 CA GLN A 37 1.834 11.353 -1.089 1.00 0.00 C ATOM 565 C GLN A 37 0.679 11.013 -0.143 1.00 0.00 C ATOM 566 O GLN A 37 0.139 9.909 -0.216 1.00 0.00 O ATOM 567 CB GLN A 37 3.173 11.075 -0.377 1.00 0.00 C ATOM 568 CG GLN A 37 4.441 11.550 -1.116 1.00 0.00 C ATOM 569 CD GLN A 37 4.926 12.954 -0.738 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.244 13.732 -0.066 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.106 13.330 -1.179 1.00 0.00 N ATOM 0 H GLN A 37 2.515 13.321 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 37 1.775 10.722 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.147 11.552 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.256 10.002 -0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.244 10.840 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.248 11.525 -2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.671 12.688 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.456 14.264 -0.965 1.00 0.00 H new ATOM 580 N ARG A 38 0.261 11.966 0.702 1.00 0.00 N ATOM 581 CA ARG A 38 -0.891 11.814 1.580 1.00 0.00 C ATOM 582 C ARG A 38 -2.124 11.486 0.753 1.00 0.00 C ATOM 583 O ARG A 38 -2.795 10.507 1.038 1.00 0.00 O ATOM 584 CB ARG A 38 -1.110 13.092 2.407 1.00 0.00 C ATOM 585 CG ARG A 38 -2.108 12.858 3.554 1.00 0.00 C ATOM 586 CD ARG A 38 -3.036 14.049 3.801 1.00 0.00 C ATOM 587 NE ARG A 38 -4.041 14.236 2.738 1.00 0.00 N ATOM 588 CZ ARG A 38 -4.898 15.268 2.690 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.922 16.199 3.640 1.00 0.00 N ATOM 590 NH2 ARG A 38 -5.751 15.377 1.681 1.00 0.00 N ATOM 0 H ARG A 38 0.723 12.871 0.790 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.706 10.994 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.158 13.430 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.479 13.887 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.710 11.978 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.556 12.641 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.547 13.911 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.437 14.955 3.889 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.088 13.539 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.279 16.139 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.584 16.973 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.757 14.676 0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.402 16.162 1.646 1.00 0.00 H new ATOM 604 N ILE A 39 -2.448 12.311 -0.242 1.00 0.00 N ATOM 605 CA ILE A 39 -3.647 12.162 -1.064 1.00 0.00 C ATOM 606 C ILE A 39 -3.565 10.845 -1.844 1.00 0.00 C ATOM 607 O ILE A 39 -4.562 10.124 -1.908 1.00 0.00 O ATOM 608 CB ILE A 39 -3.786 13.390 -1.997 1.00 0.00 C ATOM 609 CG1 ILE A 39 -3.959 14.693 -1.185 1.00 0.00 C ATOM 610 CG2 ILE A 39 -4.936 13.206 -3.005 1.00 0.00 C ATOM 611 CD1 ILE A 39 -3.923 15.966 -2.026 1.00 0.00 C ATOM 0 H ILE A 39 -1.876 13.114 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.539 12.121 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.861 13.473 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.908 14.651 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.172 14.746 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.005 14.087 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.744 12.326 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.874 13.075 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.052 16.833 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.964 16.036 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.727 15.939 -2.761 1.00 0.00 H new ATOM 623 N PHE A 40 -2.395 10.502 -2.401 1.00 0.00 N ATOM 624 CA PHE A 40 -2.187 9.192 -3.013 1.00 0.00 C ATOM 625 C PHE A 40 -2.616 8.095 -2.032 1.00 0.00 C ATOM 626 O PHE A 40 -3.372 7.188 -2.379 1.00 0.00 O ATOM 627 CB PHE A 40 -0.725 9.013 -3.449 1.00 0.00 C ATOM 628 CG PHE A 40 -0.334 7.566 -3.698 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.637 6.943 -4.921 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.265 6.810 -2.671 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.385 5.567 -5.102 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.532 5.440 -2.856 1.00 0.00 C ATOM 633 CZ PHE A 40 0.177 4.805 -4.059 1.00 0.00 C ATOM 0 H PHE A 40 -1.582 11.117 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.800 9.117 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.554 9.588 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.073 9.429 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.065 7.521 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.521 7.285 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.624 5.096 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.011 4.875 -2.071 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.334 3.744 -4.182 1.00 0.00 H new ATOM 643 N GLY A 41 -2.165 8.185 -0.785 1.00 0.00 N ATOM 644 CA GLY A 41 -2.488 7.224 0.247 1.00 0.00 C ATOM 645 C GLY A 41 -3.965 7.226 0.628 1.00 0.00 C ATOM 646 O GLY A 41 -4.548 6.163 0.829 1.00 0.00 O ATOM 0 H GLY A 41 -1.558 8.940 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.208 6.227 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.890 7.437 1.133 1.00 0.00 H new ATOM 650 N GLU A 42 -4.593 8.392 0.703 1.00 0.00 N ATOM 651 CA GLU A 42 -5.998 8.541 1.050 1.00 0.00 C ATOM 652 C GLU A 42 -6.933 8.037 -0.054 1.00 0.00 C ATOM 653 O GLU A 42 -8.101 7.752 0.211 1.00 0.00 O ATOM 654 CB GLU A 42 -6.271 10.019 1.349 1.00 0.00 C ATOM 655 CG GLU A 42 -5.747 10.439 2.733 1.00 0.00 C ATOM 656 CD GLU A 42 -6.514 11.637 3.275 1.00 0.00 C ATOM 657 OE1 GLU A 42 -6.690 12.626 2.528 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.011 11.571 4.424 1.00 0.00 O ATOM 0 H GLU A 42 -4.127 9.281 0.520 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.202 7.928 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.802 10.636 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.343 10.206 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.836 9.603 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.687 10.684 2.664 1.00 0.00 H new ATOM 665 N LYS A 43 -6.440 7.899 -1.289 1.00 0.00 N ATOM 666 CA LYS A 43 -7.270 7.626 -2.456 1.00 0.00 C ATOM 667 C LYS A 43 -6.902 6.330 -3.142 1.00 0.00 C ATOM 668 O LYS A 43 -7.742 5.428 -3.199 1.00 0.00 O ATOM 669 CB LYS A 43 -7.215 8.821 -3.402 1.00 0.00 C ATOM 670 CG LYS A 43 -7.924 10.004 -2.724 1.00 0.00 C ATOM 671 CD LYS A 43 -8.481 10.958 -3.770 1.00 0.00 C ATOM 672 CE LYS A 43 -9.642 11.772 -3.197 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.851 10.935 -3.028 1.00 0.00 N ATOM 0 H LYS A 43 -5.446 7.975 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.299 7.488 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.181 9.078 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.699 8.579 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.731 9.638 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.225 10.533 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.694 11.630 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.820 10.395 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.353 12.196 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.865 12.608 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.691 11.546 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.945 10.293 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.768 10.377 -2.154 1.00 0.00 H new ATOM 687 N VAL A 44 -5.685 6.239 -3.671 1.00 0.00 N ATOM 688 CA VAL A 44 -5.227 5.068 -4.400 1.00 0.00 C ATOM 689 C VAL A 44 -5.118 3.897 -3.429 1.00 0.00 C ATOM 690 O VAL A 44 -5.624 2.816 -3.720 1.00 0.00 O ATOM 691 CB VAL A 44 -3.883 5.341 -5.107 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.586 4.197 -6.091 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.877 6.680 -5.870 1.00 0.00 C ATOM 0 H VAL A 44 -4.988 6.981 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.947 4.822 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.115 5.400 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.637 4.386 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.527 3.255 -5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.383 4.138 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.908 6.822 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.659 6.669 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.060 7.497 -5.172 1.00 0.00 H new ATOM 703 N LEU A 45 -4.472 4.097 -2.278 1.00 0.00 N ATOM 704 CA LEU A 45 -4.444 3.079 -1.238 1.00 0.00 C ATOM 705 C LEU A 45 -5.776 3.082 -0.492 1.00 0.00 C ATOM 706 O LEU A 45 -6.305 2.015 -0.188 1.00 0.00 O ATOM 707 CB LEU A 45 -3.243 3.269 -0.300 1.00 0.00 C ATOM 708 CG LEU A 45 -1.876 3.215 -1.010 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.742 3.595 -0.060 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.559 1.804 -1.464 1.00 0.00 C ATOM 0 H LEU A 45 -3.965 4.952 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.314 2.098 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.340 4.229 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.271 2.498 0.470 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.945 3.908 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.209 3.547 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.901 4.608 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.724 2.901 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.590 1.791 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.531 1.141 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.328 1.464 -2.158 1.00 0.00 H new ATOM 722 N GLY A 46 -6.341 4.261 -0.226 1.00 0.00 N ATOM 723 CA GLY A 46 -7.637 4.426 0.421 1.00 0.00 C ATOM 724 C GLY A 46 -7.551 4.470 1.949 1.00 0.00 C ATOM 725 O GLY A 46 -8.584 4.330 2.615 1.00 0.00 O ATOM 0 H GLY A 46 -5.896 5.148 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.099 5.346 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.290 3.605 0.124 1.00 0.00 H new ATOM 729 N LEU A 47 -6.344 4.574 2.520 1.00 0.00 N ATOM 730 CA LEU A 47 -6.074 4.410 3.953 1.00 0.00 C ATOM 731 C LEU A 47 -6.199 5.740 4.715 1.00 0.00 C ATOM 732 O LEU A 47 -6.312 6.817 4.124 1.00 0.00 O ATOM 733 CB LEU A 47 -4.640 3.884 4.172 1.00 0.00 C ATOM 734 CG LEU A 47 -4.311 2.497 3.603 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.795 2.366 3.457 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.818 1.407 4.546 1.00 0.00 C ATOM 0 H LEU A 47 -5.503 4.781 1.981 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.813 3.703 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.946 4.602 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.447 3.865 5.245 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.795 2.383 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.552 1.383 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.427 3.137 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.324 2.484 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.579 0.427 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.339 1.516 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.898 1.499 4.661 1.00 0.00 H new ATOM 748 N SER A 48 -6.085 5.643 6.039 1.00 0.00 N ATOM 749 CA SER A 48 -5.818 6.717 6.979 1.00 0.00 C ATOM 750 C SER A 48 -4.500 7.402 6.608 1.00 0.00 C ATOM 751 O SER A 48 -3.532 6.734 6.233 1.00 0.00 O ATOM 752 CB SER A 48 -5.737 6.090 8.373 1.00 0.00 C ATOM 753 OG SER A 48 -6.848 5.240 8.605 1.00 0.00 O ATOM 0 H SER A 48 -6.185 4.744 6.511 1.00 0.00 H new ATOM 0 HA SER A 48 -6.604 7.472 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.812 5.522 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.709 6.875 9.129 1.00 0.00 H new ATOM 0 HG SER A 48 -6.778 4.847 9.500 1.00 0.00 H new ATOM 759 N GLN A 49 -4.466 8.728 6.708 1.00 0.00 N ATOM 760 CA GLN A 49 -3.352 9.546 6.240 1.00 0.00 C ATOM 761 C GLN A 49 -2.027 9.219 6.945 1.00 0.00 C ATOM 762 O GLN A 49 -1.032 8.956 6.272 1.00 0.00 O ATOM 763 CB GLN A 49 -3.731 11.037 6.279 1.00 0.00 C ATOM 764 CG GLN A 49 -4.144 11.624 7.644 1.00 0.00 C ATOM 765 CD GLN A 49 -4.834 12.989 7.540 1.00 0.00 C ATOM 766 OE1 GLN A 49 -5.147 13.476 6.457 1.00 0.00 O ATOM 767 NE2 GLN A 49 -5.094 13.671 8.643 1.00 0.00 N ATOM 0 H GLN A 49 -5.223 9.272 7.123 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.161 9.293 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.882 11.611 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.553 11.195 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.814 10.924 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.258 11.721 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.842 13.285 9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.546 14.583 8.584 1.00 0.00 H new ATOM 776 N GLY A 50 -1.996 9.192 8.280 1.00 0.00 N ATOM 777 CA GLY A 50 -0.750 9.046 9.035 1.00 0.00 C ATOM 778 C GLY A 50 -0.112 7.678 8.864 1.00 0.00 C ATOM 779 O GLY A 50 1.110 7.574 8.806 1.00 0.00 O ATOM 0 H GLY A 50 -2.828 9.270 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.045 9.813 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.950 9.219 10.093 1.00 0.00 H new ATOM 783 N SER A 51 -0.939 6.643 8.736 1.00 0.00 N ATOM 784 CA SER A 51 -0.515 5.286 8.451 1.00 0.00 C ATOM 785 C SER A 51 0.325 5.272 7.168 1.00 0.00 C ATOM 786 O SER A 51 1.360 4.614 7.130 1.00 0.00 O ATOM 787 CB SER A 51 -1.791 4.421 8.461 1.00 0.00 C ATOM 788 OG SER A 51 -2.135 4.223 9.827 1.00 0.00 O ATOM 0 H SER A 51 -1.950 6.734 8.832 1.00 0.00 H new ATOM 0 HA SER A 51 0.157 4.857 9.194 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.600 4.917 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.617 3.467 7.963 1.00 0.00 H new ATOM 0 HG SER A 51 -2.946 3.676 9.884 1.00 0.00 H new ATOM 794 N VAL A 52 -0.039 6.064 6.158 1.00 0.00 N ATOM 795 CA VAL A 52 0.624 6.115 4.863 1.00 0.00 C ATOM 796 C VAL A 52 1.967 6.849 4.979 1.00 0.00 C ATOM 797 O VAL A 52 2.900 6.544 4.231 1.00 0.00 O ATOM 798 CB VAL A 52 -0.383 6.704 3.838 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.051 8.042 3.206 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.729 5.640 2.775 1.00 0.00 C ATOM 0 H VAL A 52 -0.829 6.706 6.225 1.00 0.00 H new ATOM 0 HA VAL A 52 0.899 5.126 4.496 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.283 6.960 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.712 8.377 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.178 8.790 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.995 7.906 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.436 6.058 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.179 5.337 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.175 4.772 3.261 1.00 0.00 H new ATOM 810 N SER A 53 2.062 7.770 5.938 1.00 0.00 N ATOM 811 CA SER A 53 3.266 8.476 6.292 1.00 0.00 C ATOM 812 C SER A 53 4.233 7.473 6.912 1.00 0.00 C ATOM 813 O SER A 53 5.345 7.310 6.416 1.00 0.00 O ATOM 814 CB SER A 53 2.870 9.634 7.208 1.00 0.00 C ATOM 815 OG SER A 53 3.782 10.705 7.114 1.00 0.00 O ATOM 0 H SER A 53 1.261 8.047 6.506 1.00 0.00 H new ATOM 0 HA SER A 53 3.784 8.914 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.871 9.982 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.824 9.284 8.239 1.00 0.00 H new ATOM 0 HG SER A 53 3.499 11.429 7.711 1.00 0.00 H new ATOM 821 N ASP A 54 3.820 6.751 7.958 1.00 0.00 N ATOM 822 CA ASP A 54 4.664 5.745 8.610 1.00 0.00 C ATOM 823 C ASP A 54 5.015 4.600 7.653 1.00 0.00 C ATOM 824 O ASP A 54 6.066 3.981 7.798 1.00 0.00 O ATOM 825 CB ASP A 54 4.001 5.163 9.867 1.00 0.00 C ATOM 826 CG ASP A 54 4.005 6.127 11.053 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.085 6.363 11.648 1.00 0.00 O ATOM 828 OD2 ASP A 54 2.928 6.636 11.422 1.00 0.00 O ATOM 0 H ASP A 54 2.894 6.847 8.376 1.00 0.00 H new ATOM 0 HA ASP A 54 5.578 6.261 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.972 4.889 9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.518 4.246 10.151 1.00 0.00 H new ATOM 833 N MET A 55 4.177 4.315 6.655 1.00 0.00 N ATOM 834 CA MET A 55 4.463 3.370 5.585 1.00 0.00 C ATOM 835 C MET A 55 5.667 3.855 4.773 1.00 0.00 C ATOM 836 O MET A 55 6.745 3.273 4.884 1.00 0.00 O ATOM 837 CB MET A 55 3.203 3.222 4.722 1.00 0.00 C ATOM 838 CG MET A 55 2.549 1.849 4.811 1.00 0.00 C ATOM 839 SD MET A 55 2.131 1.201 6.454 1.00 0.00 S ATOM 840 CE MET A 55 0.340 1.495 6.439 1.00 0.00 C ATOM 0 H MET A 55 3.258 4.749 6.570 1.00 0.00 H new ATOM 0 HA MET A 55 4.723 2.391 5.988 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.478 3.979 5.023 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.461 3.423 3.682 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.632 1.878 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.214 1.132 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.079 1.238 7.412 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.146 2.546 6.227 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.124 0.878 5.669 1.00 0.00 H new ATOM 850 N LEU A 56 5.520 4.950 4.017 1.00 0.00 N ATOM 851 CA LEU A 56 6.578 5.454 3.142 1.00 0.00 C ATOM 852 C LEU A 56 7.840 5.883 3.893 1.00 0.00 C ATOM 853 O LEU A 56 8.931 5.779 3.329 1.00 0.00 O ATOM 854 CB LEU A 56 6.085 6.641 2.297 1.00 0.00 C ATOM 855 CG LEU A 56 4.931 6.355 1.320 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.772 7.542 0.356 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.140 5.057 0.526 1.00 0.00 C ATOM 0 H LEU A 56 4.666 5.508 3.997 1.00 0.00 H new ATOM 0 HA LEU A 56 6.839 4.613 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.770 7.435 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.929 7.027 1.725 1.00 0.00 H new ATOM 0 HG LEU A 56 4.024 6.224 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.955 7.341 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.552 8.446 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.696 7.682 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.297 4.903 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.060 5.129 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.211 4.216 1.216 1.00 0.00 H new ATOM 869 N SER A 57 7.710 6.375 5.125 1.00 0.00 N ATOM 870 CA SER A 57 8.827 6.807 5.954 1.00 0.00 C ATOM 871 C SER A 57 9.628 5.593 6.449 1.00 0.00 C ATOM 872 O SER A 57 10.865 5.640 6.469 1.00 0.00 O ATOM 873 CB SER A 57 8.272 7.654 7.114 1.00 0.00 C ATOM 874 OG SER A 57 9.281 8.316 7.847 1.00 0.00 O ATOM 0 H SER A 57 6.804 6.485 5.581 1.00 0.00 H new ATOM 0 HA SER A 57 9.519 7.420 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.576 8.393 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.705 7.011 7.787 1.00 0.00 H new ATOM 0 HG SER A 57 8.872 8.839 8.568 1.00 0.00 H new ATOM 880 N ARG A 58 8.958 4.509 6.862 1.00 0.00 N ATOM 881 CA ARG A 58 9.588 3.386 7.562 1.00 0.00 C ATOM 882 C ARG A 58 8.834 2.076 7.298 1.00 0.00 C ATOM 883 O ARG A 58 8.170 1.552 8.200 1.00 0.00 O ATOM 884 CB ARG A 58 9.733 3.715 9.064 1.00 0.00 C ATOM 885 CG ARG A 58 8.517 4.370 9.750 1.00 0.00 C ATOM 886 CD ARG A 58 8.868 4.812 11.173 1.00 0.00 C ATOM 887 NE ARG A 58 7.913 5.821 11.665 1.00 0.00 N ATOM 888 CZ ARG A 58 8.199 6.910 12.385 1.00 0.00 C ATOM 889 NH1 ARG A 58 9.448 7.309 12.596 1.00 0.00 N ATOM 890 NH2 ARG A 58 7.195 7.641 12.836 1.00 0.00 N ATOM 0 H ARG A 58 7.956 4.388 6.718 1.00 0.00 H new ATOM 0 HA ARG A 58 10.593 3.234 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.966 2.791 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.590 4.377 9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.186 5.230 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.686 3.665 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.863 3.948 11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.878 5.223 11.191 1.00 0.00 H new ATOM 0 HE ARG A 58 6.931 5.673 11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.226 6.779 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.629 8.145 13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.234 7.368 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.381 8.478 13.388 1.00 0.00 H new ATOM 904 N PRO A 59 8.901 1.510 6.083 1.00 0.00 N ATOM 905 CA PRO A 59 8.229 0.254 5.788 1.00 0.00 C ATOM 906 C PRO A 59 8.948 -0.902 6.486 1.00 0.00 C ATOM 907 O PRO A 59 10.180 -0.940 6.514 1.00 0.00 O ATOM 908 CB PRO A 59 8.272 0.097 4.273 1.00 0.00 C ATOM 909 CG PRO A 59 9.431 0.982 3.819 1.00 0.00 C ATOM 910 CD PRO A 59 9.648 1.999 4.936 1.00 0.00 C ATOM 0 HA PRO A 59 7.200 0.249 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.434 -0.943 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.333 0.410 3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.331 0.390 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.196 1.480 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.707 2.095 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.298 2.987 4.636 1.00 0.00 H new ATOM 918 N LYS A 60 8.197 -1.873 7.011 1.00 0.00 N ATOM 919 CA LYS A 60 8.769 -3.121 7.512 1.00 0.00 C ATOM 920 C LYS A 60 9.127 -4.059 6.349 1.00 0.00 C ATOM 921 O LYS A 60 8.676 -3.821 5.218 1.00 0.00 O ATOM 922 CB LYS A 60 7.809 -3.753 8.552 1.00 0.00 C ATOM 923 CG LYS A 60 8.266 -3.318 9.956 1.00 0.00 C ATOM 924 CD LYS A 60 7.631 -4.046 11.148 1.00 0.00 C ATOM 925 CE LYS A 60 6.256 -3.494 11.549 1.00 0.00 C ATOM 926 NZ LYS A 60 5.962 -3.726 12.983 1.00 0.00 N ATOM 0 H LYS A 60 7.182 -1.816 7.100 1.00 0.00 H new ATOM 0 HA LYS A 60 9.708 -2.923 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.784 -3.430 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.820 -4.840 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.347 -3.447 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.065 -2.252 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.531 -5.104 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.303 -3.978 12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.219 -2.425 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.484 -3.965 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.025 -3.338 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.971 -4.747 13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.683 -3.255 13.566 1.00 0.00 H new ATOM 940 N PRO A 61 9.915 -5.126 6.584 1.00 0.00 N ATOM 941 CA PRO A 61 10.228 -6.089 5.536 1.00 0.00 C ATOM 942 C PRO A 61 8.978 -6.873 5.154 1.00 0.00 C ATOM 943 O PRO A 61 8.087 -7.070 5.988 1.00 0.00 O ATOM 944 CB PRO A 61 11.297 -7.020 6.115 1.00 0.00 C ATOM 945 CG PRO A 61 11.084 -6.926 7.621 1.00 0.00 C ATOM 946 CD PRO A 61 10.573 -5.502 7.832 1.00 0.00 C ATOM 0 HA PRO A 61 10.587 -5.596 4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.174 -8.042 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.300 -6.702 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.362 -7.665 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.010 -7.103 8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.877 -5.456 8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.394 -4.822 8.062 1.00 0.00 H new ATOM 954 N TRP A 62 8.964 -7.395 3.928 1.00 0.00 N ATOM 955 CA TRP A 62 7.900 -8.230 3.396 1.00 0.00 C ATOM 956 C TRP A 62 7.483 -9.307 4.396 1.00 0.00 C ATOM 957 O TRP A 62 6.290 -9.441 4.691 1.00 0.00 O ATOM 958 CB TRP A 62 8.353 -8.866 2.079 1.00 0.00 C ATOM 959 CG TRP A 62 7.314 -9.710 1.428 1.00 0.00 C ATOM 960 CD1 TRP A 62 7.258 -11.058 1.441 1.00 0.00 C ATOM 961 CD2 TRP A 62 6.190 -9.278 0.618 1.00 0.00 C ATOM 962 NE1 TRP A 62 6.195 -11.490 0.672 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.504 -10.427 0.127 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.712 -8.021 0.218 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.409 -10.329 -0.745 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.668 -7.922 -0.709 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.997 -9.059 -1.178 1.00 0.00 C ATOM 0 H TRP A 62 9.719 -7.240 3.260 1.00 0.00 H new ATOM 0 HA TRP A 62 7.030 -7.601 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.650 -8.076 1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.237 -9.475 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.942 -11.703 1.973 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.952 -12.470 0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.152 -7.124 0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.891 -11.217 -1.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.373 -6.948 -1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.171 -8.959 -1.866 1.00 0.00 H new ATOM 978 N SER A 63 8.445 -10.059 4.943 1.00 0.00 N ATOM 979 CA SER A 63 8.189 -11.169 5.850 1.00 0.00 C ATOM 980 C SER A 63 7.319 -10.753 7.042 1.00 0.00 C ATOM 981 O SER A 63 6.428 -11.508 7.431 1.00 0.00 O ATOM 982 CB SER A 63 9.523 -11.781 6.303 1.00 0.00 C ATOM 983 OG SER A 63 10.239 -10.907 7.160 1.00 0.00 O ATOM 0 H SER A 63 9.437 -9.906 4.761 1.00 0.00 H new ATOM 0 HA SER A 63 7.619 -11.928 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.334 -12.722 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.132 -12.013 5.429 1.00 0.00 H new ATOM 0 HG SER A 63 11.081 -11.330 7.429 1.00 0.00 H new ATOM 989 N LYS A 64 7.559 -9.572 7.628 1.00 0.00 N ATOM 990 CA LYS A 64 6.861 -9.088 8.824 1.00 0.00 C ATOM 991 C LYS A 64 5.423 -8.678 8.523 1.00 0.00 C ATOM 992 O LYS A 64 4.617 -8.593 9.452 1.00 0.00 O ATOM 993 CB LYS A 64 7.619 -7.897 9.433 1.00 0.00 C ATOM 994 CG LYS A 64 8.871 -8.267 10.247 1.00 0.00 C ATOM 995 CD LYS A 64 8.584 -8.744 11.682 1.00 0.00 C ATOM 996 CE LYS A 64 8.399 -10.260 11.811 1.00 0.00 C ATOM 997 NZ LYS A 64 8.119 -10.697 13.193 1.00 0.00 N ATOM 0 H LYS A 64 8.256 -8.916 7.277 1.00 0.00 H new ATOM 0 HA LYS A 64 6.831 -9.912 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.914 -7.224 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.936 -7.343 10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.413 -9.052 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.529 -7.399 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.405 -8.432 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.685 -8.247 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.580 -10.576 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.299 -10.761 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.004 -11.730 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.910 -10.424 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.245 -10.245 13.530 1.00 0.00 H new ATOM 1011 N LEU A 65 5.071 -8.400 7.269 1.00 0.00 N ATOM 1012 CA LEU A 65 3.674 -8.181 6.926 1.00 0.00 C ATOM 1013 C LEU A 65 2.962 -9.537 6.892 1.00 0.00 C ATOM 1014 O LEU A 65 3.590 -10.584 6.711 1.00 0.00 O ATOM 1015 CB LEU A 65 3.550 -7.462 5.575 1.00 0.00 C ATOM 1016 CG LEU A 65 4.233 -6.083 5.481 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.003 -5.517 4.074 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.694 -5.105 6.533 1.00 0.00 C ATOM 0 H LEU A 65 5.723 -8.323 6.489 1.00 0.00 H new ATOM 0 HA LEU A 65 3.207 -7.542 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.969 -8.107 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.491 -7.338 5.347 1.00 0.00 H new ATOM 0 HG LEU A 65 5.298 -6.209 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.481 -4.541 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.432 -6.194 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.933 -5.414 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.202 -4.146 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.623 -4.966 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.874 -5.507 7.530 1.00 0.00 H new ATOM 1030 N THR A 66 1.641 -9.524 7.028 1.00 0.00 N ATOM 1031 CA THR A 66 0.761 -10.629 6.658 1.00 0.00 C ATOM 1032 C THR A 66 0.212 -10.365 5.253 1.00 0.00 C ATOM 1033 O THR A 66 0.444 -9.287 4.700 1.00 0.00 O ATOM 1034 CB THR A 66 -0.350 -10.743 7.714 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.931 -9.472 7.961 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.217 -11.313 9.017 1.00 0.00 C ATOM 0 H THR A 66 1.138 -8.723 7.409 1.00 0.00 H new ATOM 0 HA THR A 66 1.293 -11.580 6.632 1.00 0.00 H new ATOM 0 HB THR A 66 -1.119 -11.415 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.638 -9.561 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.579 -11.389 9.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.635 -12.302 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.000 -10.654 9.392 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.561 -11.290 4.673 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.312 -11.012 3.449 1.00 0.00 C ATOM 1046 C GLN A 67 -2.187 -9.769 3.625 1.00 0.00 C ATOM 1047 O GLN A 67 -2.252 -8.956 2.705 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.170 -12.209 3.019 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.342 -13.347 2.398 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.224 -14.475 1.847 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.409 -14.293 1.570 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -1.685 -15.671 1.678 1.00 0.00 N ATOM 0 H GLN A 67 -0.681 -12.237 5.033 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.585 -10.826 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.711 -12.591 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.916 -11.874 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.724 -12.947 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.665 -13.753 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.703 -15.825 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.251 -16.440 1.319 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.793 -9.580 4.805 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.560 -8.380 5.132 1.00 0.00 C ATOM 1063 C LYS A 68 -2.678 -7.141 5.110 1.00 0.00 C ATOM 1064 O LYS A 68 -3.012 -6.169 4.434 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.272 -8.521 6.487 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.768 -8.804 6.313 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.059 -10.206 5.764 1.00 0.00 C ATOM 1068 CE LYS A 68 -7.560 -10.381 5.500 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.961 -9.967 4.142 1.00 0.00 N ATOM 0 H LYS A 68 -2.762 -10.263 5.562 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.325 -8.263 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.813 -9.328 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.139 -7.607 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.267 -8.687 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.195 -8.061 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.501 -10.364 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.719 -10.959 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.830 -11.427 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.122 -9.800 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.896 -9.513 4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.264 -9.294 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.007 -10.802 3.524 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.541 -7.162 5.810 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.615 -6.030 5.808 1.00 0.00 C ATOM 1085 C GLY A 69 -0.071 -5.716 4.408 1.00 0.00 C ATOM 1086 O GLY A 69 0.282 -4.572 4.133 1.00 0.00 O ATOM 0 H GLY A 69 -1.241 -7.950 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.122 -5.150 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.218 -6.245 6.478 1.00 0.00 H new ATOM 1090 N ARG A 70 0.001 -6.710 3.518 1.00 0.00 N ATOM 1091 CA ARG A 70 0.476 -6.558 2.147 1.00 0.00 C ATOM 1092 C ARG A 70 -0.568 -5.937 1.234 1.00 0.00 C ATOM 1093 O ARG A 70 -0.172 -5.455 0.180 1.00 0.00 O ATOM 1094 CB ARG A 70 0.904 -7.936 1.618 1.00 0.00 C ATOM 1095 CG ARG A 70 2.258 -8.336 2.214 1.00 0.00 C ATOM 1096 CD ARG A 70 2.434 -9.847 2.170 1.00 0.00 C ATOM 1097 NE ARG A 70 3.565 -10.286 2.997 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.997 -11.543 3.123 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.448 -12.543 2.445 1.00 0.00 N ATOM 1100 NH2 ARG A 70 5.014 -11.796 3.928 1.00 0.00 N ATOM 0 H ARG A 70 -0.277 -7.666 3.741 1.00 0.00 H new ATOM 0 HA ARG A 70 1.324 -5.874 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.151 -8.682 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.971 -7.911 0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.063 -7.854 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.326 -7.986 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.520 -10.330 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.591 -10.165 1.139 1.00 0.00 H new ATOM 0 HE ARG A 70 4.064 -9.568 3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.674 -12.362 1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.800 -13.493 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.458 -11.036 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.355 -12.751 4.034 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.854 -5.944 1.579 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.925 -5.427 0.715 1.00 0.00 C ATOM 1116 C GLU A 71 -2.649 -4.020 0.148 1.00 0.00 C ATOM 1117 O GLU A 71 -2.715 -3.868 -1.076 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.289 -5.426 1.435 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.854 -6.823 1.690 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.015 -6.866 2.695 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.415 -5.826 3.272 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.473 -7.989 3.001 1.00 0.00 O ATOM 0 H GLU A 71 -2.189 -6.310 2.470 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.954 -6.117 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.186 -4.907 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.004 -4.859 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.194 -7.242 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.052 -7.465 2.053 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.310 -2.996 0.961 1.00 0.00 N ATOM 1130 CA PRO A 72 -2.023 -1.673 0.417 1.00 0.00 C ATOM 1131 C PRO A 72 -0.709 -1.662 -0.364 1.00 0.00 C ATOM 1132 O PRO A 72 -0.629 -1.094 -1.450 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.990 -0.741 1.625 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.627 -1.640 2.801 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.280 -2.965 2.421 1.00 0.00 C ATOM 0 HA PRO A 72 -2.777 -1.355 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.255 0.053 1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.955 -0.259 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.548 -1.739 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.015 -1.252 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.713 -3.807 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.286 -3.036 2.833 1.00 0.00 H new ATOM 1143 N PHE A 73 0.319 -2.342 0.140 1.00 0.00 N ATOM 1144 CA PHE A 73 1.598 -2.458 -0.540 1.00 0.00 C ATOM 1145 C PHE A 73 1.435 -3.058 -1.945 1.00 0.00 C ATOM 1146 O PHE A 73 2.153 -2.639 -2.850 1.00 0.00 O ATOM 1147 CB PHE A 73 2.549 -3.302 0.318 1.00 0.00 C ATOM 1148 CG PHE A 73 3.199 -2.559 1.469 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.536 -2.401 2.699 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.495 -2.038 1.311 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.162 -1.722 3.759 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.131 -1.369 2.369 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.449 -1.187 3.586 1.00 0.00 C ATOM 0 H PHE A 73 0.283 -2.828 1.036 1.00 0.00 H new ATOM 0 HA PHE A 73 2.022 -1.462 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.996 -4.151 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.332 -3.706 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.542 -2.803 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.006 -2.153 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.654 -1.612 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.138 -0.996 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.916 -0.635 4.388 1.00 0.00 H new ATOM 1163 N ILE A 74 0.513 -4.007 -2.154 1.00 0.00 N ATOM 1164 CA ILE A 74 0.178 -4.576 -3.457 1.00 0.00 C ATOM 1165 C ILE A 74 -0.336 -3.467 -4.360 1.00 0.00 C ATOM 1166 O ILE A 74 0.121 -3.347 -5.492 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.872 -5.705 -3.262 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.163 -7.019 -2.901 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.801 -5.949 -4.460 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.969 -7.973 -2.024 1.00 0.00 C ATOM 0 H ILE A 74 -0.035 -4.410 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 74 1.056 -5.016 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.514 -5.358 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.102 -7.535 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.770 -6.781 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.496 -6.755 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.361 -5.039 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.207 -6.226 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.381 -8.869 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.212 -7.483 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.890 -8.249 -2.537 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.280 -2.651 -3.888 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.823 -1.569 -4.676 1.00 0.00 C ATOM 1184 C ARG A 75 -0.732 -0.569 -5.044 1.00 0.00 C ATOM 1185 O ARG A 75 -0.742 -0.085 -6.173 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.982 -0.948 -3.896 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.178 -1.909 -3.842 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.439 -1.239 -3.288 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.634 -1.997 -3.685 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.046 -3.188 -3.252 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.499 -3.768 -2.189 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.008 -3.796 -3.924 1.00 0.00 N ATOM 0 H ARG A 75 -1.681 -2.729 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.212 -1.934 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.657 -0.707 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.283 -0.012 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.381 -2.289 -4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.923 -2.768 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.381 -1.181 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.509 -0.216 -3.659 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.227 -1.552 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.746 -3.301 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.832 -4.680 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.413 -3.353 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.346 -4.709 -3.618 1.00 0.00 H new ATOM 1206 N MET A 76 0.242 -0.331 -4.159 1.00 0.00 N ATOM 1207 CA MET A 76 1.452 0.416 -4.477 1.00 0.00 C ATOM 1208 C MET A 76 2.231 -0.233 -5.633 1.00 0.00 C ATOM 1209 O MET A 76 2.562 0.458 -6.592 1.00 0.00 O ATOM 1210 CB MET A 76 2.336 0.544 -3.218 1.00 0.00 C ATOM 1211 CG MET A 76 2.491 1.996 -2.773 1.00 0.00 C ATOM 1212 SD MET A 76 3.838 2.314 -1.600 1.00 0.00 S ATOM 1213 CE MET A 76 3.099 1.677 -0.098 1.00 0.00 C ATOM 0 H MET A 76 0.207 -0.657 -3.193 1.00 0.00 H new ATOM 0 HA MET A 76 1.161 1.413 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.899 -0.039 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.319 0.120 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.649 2.614 -3.657 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.554 2.321 -2.320 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.130 2.444 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.063 1.399 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.654 0.801 0.237 1.00 0.00 H new ATOM 1223 N GLN A 77 2.525 -1.538 -5.553 1.00 0.00 N ATOM 1224 CA GLN A 77 3.295 -2.266 -6.568 1.00 0.00 C ATOM 1225 C GLN A 77 2.602 -2.196 -7.919 1.00 0.00 C ATOM 1226 O GLN A 77 3.248 -1.977 -8.941 1.00 0.00 O ATOM 1227 CB GLN A 77 3.455 -3.753 -6.206 1.00 0.00 C ATOM 1228 CG GLN A 77 4.378 -3.991 -5.009 1.00 0.00 C ATOM 1229 CD GLN A 77 4.044 -5.240 -4.196 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.184 -6.378 -4.625 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.643 -5.027 -2.954 1.00 0.00 N ATOM 0 H GLN A 77 2.231 -2.124 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 77 4.275 -1.792 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.473 -4.174 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.847 -4.290 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.405 -4.068 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.334 -3.122 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.531 -4.073 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.446 -5.817 -2.339 1.00 0.00 H new ATOM 1240 N LEU A 78 1.289 -2.411 -7.916 1.00 0.00 N ATOM 1241 CA LEU A 78 0.495 -2.428 -9.123 1.00 0.00 C ATOM 1242 C LEU A 78 0.484 -1.048 -9.728 1.00 0.00 C ATOM 1243 O LEU A 78 0.896 -0.935 -10.873 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.925 -2.948 -8.840 1.00 0.00 C ATOM 1245 CG LEU A 78 -0.941 -4.461 -8.549 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.292 -4.895 -7.981 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.645 -5.273 -9.813 1.00 0.00 C ATOM 0 H LEU A 78 0.751 -2.579 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 78 0.939 -3.115 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.344 -2.411 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.565 -2.737 -9.697 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.161 -4.653 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.277 -5.967 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.485 -4.359 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.079 -4.669 -8.701 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.663 -6.337 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.400 -5.057 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.339 -5.004 -10.196 1.00 0.00 H new ATOM 1259 N TRP A 79 0.087 -0.012 -8.984 1.00 0.00 N ATOM 1260 CA TRP A 79 -0.031 1.355 -9.484 1.00 0.00 C ATOM 1261 C TRP A 79 1.211 1.827 -10.243 1.00 0.00 C ATOM 1262 O TRP A 79 1.079 2.575 -11.208 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.306 2.290 -8.296 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.281 3.760 -8.583 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.313 4.521 -9.009 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.867 4.659 -8.497 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.911 5.834 -9.106 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.421 5.982 -8.788 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.235 4.499 -8.173 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.278 7.093 -8.716 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.115 5.600 -8.142 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.628 6.902 -8.372 1.00 0.00 C ATOM 0 H TRP A 79 -0.165 -0.104 -8.000 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.854 1.377 -10.198 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.283 2.039 -7.884 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.430 2.081 -7.520 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.303 4.155 -9.239 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.524 6.602 -9.380 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.613 3.513 -7.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.903 8.085 -8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.165 5.445 -7.941 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.290 7.751 -8.284 1.00 0.00 H new ATOM 1283 N LEU A 80 2.402 1.374 -9.841 1.00 0.00 N ATOM 1284 CA LEU A 80 3.655 1.735 -10.496 1.00 0.00 C ATOM 1285 C LEU A 80 3.571 1.432 -11.997 1.00 0.00 C ATOM 1286 O LEU A 80 3.998 2.249 -12.811 1.00 0.00 O ATOM 1287 CB LEU A 80 4.835 0.994 -9.832 1.00 0.00 C ATOM 1288 CG LEU A 80 5.588 1.850 -8.796 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.401 0.936 -7.883 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.541 2.855 -9.449 1.00 0.00 C ATOM 0 H LEU A 80 2.521 0.744 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 80 3.827 2.805 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.461 0.093 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.534 0.673 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 80 4.840 2.409 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.936 1.538 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.732 0.246 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.117 0.370 -8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.046 3.433 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.281 2.321 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.975 3.528 -10.093 1.00 0.00 H new ATOM 1302 N SER A 81 3.025 0.272 -12.367 1.00 0.00 N ATOM 1303 CA SER A 81 2.826 -0.157 -13.746 1.00 0.00 C ATOM 1304 C SER A 81 1.400 0.190 -14.203 1.00 0.00 C ATOM 1305 O SER A 81 1.217 0.920 -15.176 1.00 0.00 O ATOM 1306 CB SER A 81 3.136 -1.665 -13.799 1.00 0.00 C ATOM 1307 OG SER A 81 3.092 -2.188 -15.111 1.00 0.00 O ATOM 0 H SER A 81 2.699 -0.416 -11.688 1.00 0.00 H new ATOM 0 HA SER A 81 3.491 0.360 -14.438 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.124 -1.843 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.420 -2.200 -13.175 1.00 0.00 H new ATOM 0 HG SER A 81 3.297 -3.146 -15.088 1.00 0.00 H new ATOM 1313 N ASP A 82 0.406 -0.322 -13.479 1.00 0.00 N ATOM 1314 CA ASP A 82 -1.014 -0.392 -13.800 1.00 0.00 C ATOM 1315 C ASP A 82 -1.716 0.964 -13.801 1.00 0.00 C ATOM 1316 O ASP A 82 -2.769 1.106 -14.428 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.673 -1.257 -12.716 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.153 -1.500 -12.966 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.545 -2.047 -14.021 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.959 -1.133 -12.082 1.00 0.00 O ATOM 0 H ASP A 82 0.595 -0.737 -12.567 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.107 -0.798 -14.807 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.157 -2.216 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.549 -0.773 -11.747 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.182 1.925 -13.041 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.719 3.253 -12.742 1.00 0.00 C ATOM 1327 C GLN A 83 -3.131 3.298 -12.139 1.00 0.00 C ATOM 1328 O GLN A 83 -3.509 4.353 -11.636 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.591 4.156 -13.978 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.121 4.473 -14.304 1.00 0.00 C ATOM 1331 CD GLN A 83 0.136 5.970 -14.215 1.00 0.00 C ATOM 1332 OE1 GLN A 83 0.220 6.545 -13.133 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.242 6.652 -15.344 1.00 0.00 N ATOM 0 H GLN A 83 -0.284 1.779 -12.580 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.101 3.636 -11.930 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.056 3.668 -14.834 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.134 5.085 -13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.533 3.944 -13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.120 4.116 -15.305 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.171 6.169 -16.240 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.394 7.660 -15.318 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.875 2.186 -12.082 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.295 2.057 -11.790 1.00 0.00 C ATOM 1344 C LEU A 84 -6.137 2.945 -12.698 1.00 0.00 C ATOM 1345 O LEU A 84 -6.064 4.167 -12.634 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.586 2.297 -10.319 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.037 1.153 -9.445 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.672 1.478 -8.843 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.034 0.901 -8.330 1.00 0.00 C ATOM 0 H LEU A 84 -3.452 1.274 -12.256 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.582 1.027 -12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.140 3.242 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.662 2.388 -10.169 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.903 0.272 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.332 0.638 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.955 1.661 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.752 2.367 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.671 0.094 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.152 1.807 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.996 0.620 -8.759 1.00 0.00 H new