USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot -134:sc= 0.445 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.427 K(o=0.87,f=0.16) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.023 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.593 K(o=0.59,f=-0.014) USER MOD Single : A 8 THR OG1 : rot 160:sc= 0.0548 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.623 K(o=0.62,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 TYR OH : rot 166:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.1!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0117 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.941 K(o=0.94,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.48) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot -13:sc= 0.602 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 160:sc= 0.352 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.127 -2.523 -0.371 1.00 0.00 N ATOM 2 CA GLY A 1 -1.154 -2.063 -1.335 1.00 0.00 C ATOM 3 C GLY A 1 -0.663 -0.879 -2.157 1.00 0.00 C ATOM 4 O GLY A 1 0.116 -0.067 -1.665 1.00 0.00 O ATOM 0 H1 GLY A 1 0.289 -3.416 -0.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.619 -1.803 -0.289 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.567 -2.674 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.421 -2.883 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.059 -1.782 -0.796 1.00 0.00 H new ATOM 10 N ILE A 2 -1.124 -0.764 -3.408 1.00 0.00 N ATOM 11 CA ILE A 2 -0.687 0.249 -4.392 1.00 0.00 C ATOM 12 C ILE A 2 -0.990 1.690 -3.946 1.00 0.00 C ATOM 13 O ILE A 2 -0.077 2.509 -3.823 1.00 0.00 O ATOM 14 CB ILE A 2 -1.241 -0.125 -5.797 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.940 0.858 -6.948 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.759 -0.399 -5.829 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.472 1.447 -6.967 1.00 0.00 C ATOM 0 H ILE A 2 -1.836 -1.392 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 2 0.401 0.235 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.675 -1.040 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.112 0.344 -7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.655 1.679 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.062 -0.652 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.993 -1.230 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.296 0.491 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.573 2.123 -7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.649 1.997 -6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.201 0.642 -7.056 1.00 0.00 H new ATOM 29 N VAL A 3 -2.243 1.998 -3.603 1.00 0.00 N ATOM 30 CA VAL A 3 -2.640 3.330 -3.098 1.00 0.00 C ATOM 31 C VAL A 3 -1.949 3.665 -1.768 1.00 0.00 C ATOM 32 O VAL A 3 -1.429 4.764 -1.592 1.00 0.00 O ATOM 33 CB VAL A 3 -4.178 3.452 -3.044 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.877 2.383 -2.194 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.611 4.824 -2.529 1.00 0.00 C ATOM 0 H VAL A 3 -3.017 1.336 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.291 4.087 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.489 3.305 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.954 2.549 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.654 1.395 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.520 2.445 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.699 4.876 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.217 4.977 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.226 5.599 -3.191 1.00 0.00 H new ATOM 45 N GLU A 4 -1.828 2.684 -0.875 1.00 0.00 N ATOM 46 CA GLU A 4 -1.116 2.791 0.412 1.00 0.00 C ATOM 47 C GLU A 4 0.423 2.768 0.307 1.00 0.00 C ATOM 48 O GLU A 4 1.109 2.769 1.333 1.00 0.00 O ATOM 49 CB GLU A 4 -1.649 1.740 1.401 1.00 0.00 C ATOM 50 CG GLU A 4 -3.126 1.989 1.727 1.00 0.00 C ATOM 51 CD GLU A 4 -3.617 1.043 2.839 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.927 -0.137 2.543 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.703 1.469 4.016 1.00 0.00 O1- ATOM 0 H GLU A 4 -2.233 1.760 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.334 3.787 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.530 0.743 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.061 1.768 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.263 3.024 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.729 1.845 0.830 1.00 0.00 H new ATOM 60 N GLN A 5 0.977 2.808 -0.912 1.00 0.00 N ATOM 61 CA GLN A 5 2.391 3.097 -1.176 1.00 0.00 C ATOM 62 C GLN A 5 2.587 4.393 -1.984 1.00 0.00 C ATOM 63 O GLN A 5 3.545 5.125 -1.720 1.00 0.00 O ATOM 64 CB GLN A 5 3.033 1.878 -1.865 1.00 0.00 C ATOM 65 CG GLN A 5 4.541 2.016 -2.141 1.00 0.00 C ATOM 66 CD GLN A 5 5.386 2.242 -0.886 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.911 1.317 -0.279 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.558 3.473 -0.453 1.00 0.00 N ATOM 0 H GLN A 5 0.440 2.636 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 5 2.895 3.273 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.870 0.998 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.519 1.699 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.891 1.115 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.699 2.848 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.127 4.253 -0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.123 3.647 0.378 1.00 0.00 H new ATOM 77 N CYS A 6 1.704 4.684 -2.950 1.00 0.00 N ATOM 78 CA CYS A 6 1.895 5.770 -3.925 1.00 0.00 C ATOM 79 C CYS A 6 0.987 7.005 -3.744 1.00 0.00 C ATOM 80 O CYS A 6 1.291 8.055 -4.317 1.00 0.00 O ATOM 81 CB CYS A 6 1.810 5.192 -5.343 1.00 0.00 C ATOM 82 SG CYS A 6 3.003 3.869 -5.708 1.00 0.00 S ATOM 0 H CYS A 6 0.832 4.170 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 6 2.890 6.175 -3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.803 4.806 -5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.958 6.001 -6.058 1.00 0.00 H new ATOM 87 N CYS A 7 -0.078 6.926 -2.933 1.00 0.00 N ATOM 88 CA CYS A 7 -0.846 8.103 -2.491 1.00 0.00 C ATOM 89 C CYS A 7 -0.379 8.602 -1.108 1.00 0.00 C ATOM 90 O CYS A 7 -0.533 9.777 -0.765 1.00 0.00 O ATOM 91 CB CYS A 7 -2.341 7.758 -2.515 1.00 0.00 C ATOM 92 SG CYS A 7 -3.458 9.161 -2.247 1.00 0.00 S ATOM 0 H CYS A 7 -0.433 6.044 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.668 8.931 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.578 7.304 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.537 7.006 -1.750 1.00 0.00 H new ATOM 97 N THR A 8 0.230 7.710 -0.326 1.00 0.00 N ATOM 98 CA THR A 8 0.790 7.954 1.013 1.00 0.00 C ATOM 99 C THR A 8 2.196 8.568 0.965 1.00 0.00 C ATOM 100 O THR A 8 2.536 9.403 1.808 1.00 0.00 O ATOM 101 CB THR A 8 0.834 6.620 1.774 1.00 0.00 C ATOM 102 OG1 THR A 8 1.517 5.661 0.995 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.572 6.079 2.026 1.00 0.00 C ATOM 0 H THR A 8 0.355 6.742 -0.622 1.00 0.00 H new ATOM 0 HA THR A 8 0.149 8.675 1.520 1.00 0.00 H new ATOM 0 HB THR A 8 1.336 6.798 2.725 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.829 4.933 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.507 5.134 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.138 6.798 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.076 5.918 1.073 1.00 0.00 H new ATOM 111 N SER A 9 2.984 8.195 -0.048 1.00 0.00 N ATOM 112 CA SER A 9 4.348 8.663 -0.339 1.00 0.00 C ATOM 113 C SER A 9 4.576 8.767 -1.855 1.00 0.00 C ATOM 114 O SER A 9 3.782 8.264 -2.650 1.00 0.00 O ATOM 115 CB SER A 9 5.379 7.687 0.255 1.00 0.00 C ATOM 116 OG SER A 9 5.326 7.677 1.675 1.00 0.00 O ATOM 0 H SER A 9 2.666 7.511 -0.735 1.00 0.00 H new ATOM 0 HA SER A 9 4.469 9.649 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.192 6.682 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.380 7.970 -0.071 1.00 0.00 H new ATOM 0 HG SER A 9 5.991 7.047 2.023 1.00 0.00 H new ATOM 122 N ILE A 10 5.683 9.388 -2.277 1.00 0.00 N ATOM 123 CA ILE A 10 6.113 9.410 -3.687 1.00 0.00 C ATOM 124 C ILE A 10 6.472 7.992 -4.167 1.00 0.00 C ATOM 125 O ILE A 10 7.104 7.224 -3.435 1.00 0.00 O ATOM 126 CB ILE A 10 7.287 10.403 -3.877 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.777 11.834 -3.605 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.912 10.309 -5.280 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.790 12.967 -3.811 1.00 0.00 C ATOM 0 H ILE A 10 6.311 9.892 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 10 5.286 9.759 -4.305 1.00 0.00 H new ATOM 0 HB ILE A 10 8.074 10.143 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.919 12.020 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.417 11.879 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.730 11.025 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.294 9.301 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.155 10.535 -6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.316 13.923 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.640 12.820 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.135 12.963 -4.845 1.00 0.00 H new ATOM 141 N CYS A 11 6.125 7.677 -5.420 1.00 0.00 N ATOM 142 CA CYS A 11 6.592 6.488 -6.137 1.00 0.00 C ATOM 143 C CYS A 11 7.421 6.856 -7.378 1.00 0.00 C ATOM 144 O CYS A 11 7.092 7.795 -8.107 1.00 0.00 O ATOM 145 CB CYS A 11 5.404 5.589 -6.495 1.00 0.00 C ATOM 146 SG CYS A 11 4.793 4.622 -5.093 1.00 0.00 S ATOM 0 H CYS A 11 5.496 8.257 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 11 7.257 5.932 -5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.594 6.206 -6.883 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.699 4.910 -7.295 1.00 0.00 H new ATOM 151 N SER A 12 8.478 6.081 -7.625 1.00 0.00 N ATOM 152 CA SER A 12 9.305 6.140 -8.839 1.00 0.00 C ATOM 153 C SER A 12 8.769 5.217 -9.938 1.00 0.00 C ATOM 154 O SER A 12 8.029 4.270 -9.660 1.00 0.00 O ATOM 155 CB SER A 12 10.763 5.778 -8.520 1.00 0.00 C ATOM 156 OG SER A 12 11.307 6.652 -7.544 1.00 0.00 O ATOM 0 H SER A 12 8.795 5.370 -6.966 1.00 0.00 H new ATOM 0 HA SER A 12 9.262 7.165 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.815 4.750 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.360 5.828 -9.430 1.00 0.00 H new ATOM 0 HG SER A 12 12.198 6.945 -7.828 1.00 0.00 H new ATOM 162 N LEU A 13 9.196 5.427 -11.189 1.00 0.00 N ATOM 163 CA LEU A 13 8.818 4.563 -12.318 1.00 0.00 C ATOM 164 C LEU A 13 9.188 3.078 -12.105 1.00 0.00 C ATOM 165 O LEU A 13 8.399 2.197 -12.443 1.00 0.00 O ATOM 166 CB LEU A 13 9.331 5.142 -13.655 1.00 0.00 C ATOM 167 CG LEU A 13 10.727 5.794 -13.746 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.876 4.905 -13.283 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.993 6.185 -15.200 1.00 0.00 C ATOM 0 H LEU A 13 9.812 6.198 -11.449 1.00 0.00 H new ATOM 0 HA LEU A 13 7.729 4.562 -12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.306 4.333 -14.386 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.606 5.888 -13.981 1.00 0.00 H new ATOM 0 HG LEU A 13 10.701 6.651 -13.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.817 5.446 -13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.725 4.629 -12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.909 4.004 -13.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.977 6.647 -15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.959 5.295 -15.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.233 6.892 -15.532 1.00 0.00 H new ATOM 181 N TYR A 14 10.308 2.796 -11.430 1.00 0.00 N ATOM 182 CA TYR A 14 10.745 1.441 -11.064 1.00 0.00 C ATOM 183 C TYR A 14 9.756 0.718 -10.131 1.00 0.00 C ATOM 184 O TYR A 14 9.659 -0.509 -10.160 1.00 0.00 O ATOM 185 CB TYR A 14 12.115 1.524 -10.371 1.00 0.00 C ATOM 186 CG TYR A 14 13.199 2.255 -11.144 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.624 1.769 -12.397 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.790 3.415 -10.603 1.00 0.00 C ATOM 189 CE1 TYR A 14 14.630 2.445 -13.114 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.796 4.093 -11.317 1.00 0.00 C ATOM 191 CZ TYR A 14 15.218 3.613 -12.576 1.00 0.00 C ATOM 192 OH TYR A 14 16.192 4.276 -13.260 1.00 0.00 O ATOM 0 H TYR A 14 10.953 3.521 -11.115 1.00 0.00 H new ATOM 0 HA TYR A 14 10.800 0.863 -11.986 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.985 2.017 -9.408 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.460 0.511 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.177 0.876 -12.808 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.471 3.784 -9.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.952 2.071 -14.075 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.246 4.982 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 14 16.481 5.057 -12.743 1.00 0.00 H new ATOM 202 N GLN A 15 9.014 1.474 -9.314 1.00 0.00 N ATOM 203 CA GLN A 15 7.971 0.957 -8.424 1.00 0.00 C ATOM 204 C GLN A 15 6.657 0.782 -9.193 1.00 0.00 C ATOM 205 O GLN A 15 6.084 -0.304 -9.195 1.00 0.00 O ATOM 206 CB GLN A 15 7.785 1.900 -7.222 1.00 0.00 C ATOM 207 CG GLN A 15 9.059 2.081 -6.388 1.00 0.00 C ATOM 208 CD GLN A 15 8.809 3.113 -5.299 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.174 4.274 -5.420 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.116 2.753 -4.240 1.00 0.00 N ATOM 0 H GLN A 15 9.126 2.486 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 15 8.277 -0.019 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.453 2.874 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.993 1.510 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.353 1.131 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.882 2.402 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.810 1.786 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.885 3.441 -3.524 1.00 0.00 H new ATOM 219 N LEU A 16 6.200 1.829 -9.894 1.00 0.00 N ATOM 220 CA LEU A 16 4.914 1.848 -10.603 1.00 0.00 C ATOM 221 C LEU A 16 4.806 0.760 -11.685 1.00 0.00 C ATOM 222 O LEU A 16 3.757 0.129 -11.815 1.00 0.00 O ATOM 223 CB LEU A 16 4.695 3.234 -11.212 1.00 0.00 C ATOM 224 CG LEU A 16 4.494 4.371 -10.193 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.496 5.710 -10.928 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.177 4.256 -9.423 1.00 0.00 C ATOM 0 H LEU A 16 6.722 2.700 -9.985 1.00 0.00 H new ATOM 0 HA LEU A 16 4.134 1.629 -9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.552 3.477 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.823 3.193 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 16 5.312 4.300 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.354 6.519 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.449 5.842 -11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.686 5.726 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.093 5.085 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.342 4.287 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.156 3.313 -8.876 1.00 0.00 H new ATOM 238 N GLU A 17 5.885 0.476 -12.423 1.00 0.00 N ATOM 239 CA GLU A 17 5.891 -0.574 -13.452 1.00 0.00 C ATOM 240 C GLU A 17 5.670 -1.992 -12.881 1.00 0.00 C ATOM 241 O GLU A 17 5.114 -2.847 -13.574 1.00 0.00 O ATOM 242 CB GLU A 17 7.198 -0.525 -14.260 1.00 0.00 C ATOM 243 CG GLU A 17 7.242 0.670 -15.221 1.00 0.00 C ATOM 244 CD GLU A 17 8.491 0.611 -16.118 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.512 -0.220 -17.059 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 9.461 1.373 -15.888 1.00 0.00 O ATOM 0 H GLU A 17 6.775 0.964 -12.326 1.00 0.00 H new ATOM 0 HA GLU A 17 5.045 -0.367 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.044 -0.470 -13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.307 -1.449 -14.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.345 0.676 -15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.243 1.599 -14.651 1.00 0.00 H new ATOM 253 N ASN A 18 6.031 -2.250 -11.616 1.00 0.00 N ATOM 254 CA ASN A 18 5.826 -3.556 -10.971 1.00 0.00 C ATOM 255 C ASN A 18 4.338 -3.848 -10.695 1.00 0.00 C ATOM 256 O ASN A 18 3.912 -5.002 -10.762 1.00 0.00 O ATOM 257 CB ASN A 18 6.647 -3.627 -9.667 1.00 0.00 C ATOM 258 CG ASN A 18 8.155 -3.698 -9.873 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.673 -3.894 -10.965 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.915 -3.576 -8.808 1.00 0.00 N ATOM 0 H ASN A 18 6.474 -1.559 -11.010 1.00 0.00 H new ATOM 0 HA ASN A 18 6.172 -4.325 -11.662 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.417 -2.752 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.329 -4.502 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.929 -3.645 -8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.491 -3.413 -7.895 1.00 0.00 H new ATOM 267 N TYR A 19 3.532 -2.811 -10.442 1.00 0.00 N ATOM 268 CA TYR A 19 2.088 -2.924 -10.184 1.00 0.00 C ATOM 269 C TYR A 19 1.261 -3.253 -11.441 1.00 0.00 C ATOM 270 O TYR A 19 0.106 -3.669 -11.333 1.00 0.00 O ATOM 271 CB TYR A 19 1.605 -1.626 -9.525 1.00 0.00 C ATOM 272 CG TYR A 19 2.195 -1.388 -8.148 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.695 -2.095 -7.037 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.224 -0.444 -7.975 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.217 -1.850 -5.751 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.748 -0.194 -6.691 1.00 0.00 C ATOM 277 CZ TYR A 19 3.251 -0.903 -5.577 1.00 0.00 C ATOM 278 OH TYR A 19 3.760 -0.663 -4.339 1.00 0.00 O ATOM 0 H TYR A 19 3.870 -1.849 -10.410 1.00 0.00 H new ATOM 0 HA TYR A 19 1.933 -3.770 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.858 -0.785 -10.170 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.518 -1.651 -9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.911 -2.826 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.613 0.091 -8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.827 -2.386 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.529 0.540 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 19 4.602 -0.168 -4.422 1.00 0.00 H new ATOM 288 N CYS A 20 1.847 -3.104 -12.634 1.00 0.00 N ATOM 289 CA CYS A 20 1.224 -3.449 -13.914 1.00 0.00 C ATOM 290 C CYS A 20 1.198 -4.970 -14.190 1.00 0.00 C ATOM 291 O CYS A 20 0.333 -5.462 -14.918 1.00 0.00 O ATOM 292 CB CYS A 20 2.014 -2.717 -15.000 1.00 0.00 C ATOM 293 SG CYS A 20 1.274 -2.704 -16.650 1.00 0.00 S ATOM 0 H CYS A 20 2.791 -2.731 -12.737 1.00 0.00 H new ATOM 0 HA CYS A 20 0.178 -3.144 -13.897 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.160 -1.685 -14.681 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.002 -3.172 -15.071 1.00 0.00 H new ATOM 298 N ASN A 21 2.136 -5.728 -13.608 1.00 0.00 N ATOM 299 CA ASN A 21 2.253 -7.181 -13.778 1.00 0.00 C ATOM 300 C ASN A 21 1.159 -7.938 -12.999 1.00 0.00 C ATOM 301 O ASN A 21 1.051 -7.828 -11.768 1.00 0.00 O ATOM 302 CB ASN A 21 3.684 -7.606 -13.392 1.00 0.00 C ATOM 303 CG ASN A 21 3.975 -9.081 -13.637 1.00 0.00 C ATOM 304 OD1 ASN A 21 3.124 -9.873 -14.021 1.00 0.00 O ATOM 305 ND2 ASN A 21 5.195 -9.508 -13.400 1.00 0.00 N ATOM 0 H ASN A 21 2.850 -5.339 -12.992 1.00 0.00 H new ATOM 0 HA ASN A 21 2.087 -7.448 -14.822 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.396 -7.006 -13.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.847 -7.383 -12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.426 -10.492 -13.536 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.911 -8.855 -13.080 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 8.043 9.574 -17.446 1.00 0.00 N ATOM 314 CA PHE B 1 7.503 9.859 -16.115 1.00 0.00 C ATOM 315 C PHE B 1 8.427 10.774 -15.285 1.00 0.00 C ATOM 316 O PHE B 1 9.651 10.754 -15.445 1.00 0.00 O ATOM 317 CB PHE B 1 7.240 8.530 -15.386 1.00 0.00 C ATOM 318 CG PHE B 1 6.653 8.667 -13.993 1.00 0.00 C ATOM 319 CD1 PHE B 1 5.314 9.065 -13.827 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.452 8.417 -12.860 1.00 0.00 C ATOM 321 CE1 PHE B 1 4.778 9.219 -12.535 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.911 8.550 -11.570 1.00 0.00 C ATOM 323 CZ PHE B 1 5.574 8.957 -11.406 1.00 0.00 C ATOM 0 H1 PHE B 1 7.777 8.609 -17.729 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.656 10.255 -18.131 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.080 9.655 -17.425 1.00 0.00 H new ATOM 0 HA PHE B 1 6.568 10.405 -16.236 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.562 7.929 -15.992 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.178 7.980 -15.316 1.00 0.00 H new ATOM 0 HD1 PHE B 1 4.696 9.253 -14.693 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.484 8.122 -12.983 1.00 0.00 H new ATOM 0 HE1 PHE B 1 3.754 9.539 -12.410 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.521 8.340 -10.704 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.160 9.068 -10.415 1.00 0.00 H new ATOM 333 N VAL B 2 7.831 11.545 -14.369 1.00 0.00 N ATOM 334 CA VAL B 2 8.517 12.358 -13.349 1.00 0.00 C ATOM 335 C VAL B 2 7.840 12.116 -11.998 1.00 0.00 C ATOM 336 O VAL B 2 6.610 12.181 -11.904 1.00 0.00 O ATOM 337 CB VAL B 2 8.501 13.861 -13.709 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.249 14.702 -12.665 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.156 14.135 -15.070 1.00 0.00 C ATOM 0 H VAL B 2 6.816 11.626 -14.313 1.00 0.00 H new ATOM 0 HA VAL B 2 9.564 12.059 -13.301 1.00 0.00 H new ATOM 0 HB VAL B 2 7.448 14.141 -13.739 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.216 15.753 -12.953 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.776 14.577 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.287 14.374 -12.609 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.122 15.204 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.194 13.802 -15.048 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.618 13.594 -15.848 1.00 0.00 H new ATOM 349 N ASN B 3 8.632 11.838 -10.957 1.00 0.00 N ATOM 350 CA ASN B 3 8.134 11.455 -9.631 1.00 0.00 C ATOM 351 C ASN B 3 7.133 12.456 -9.034 1.00 0.00 C ATOM 352 O ASN B 3 7.318 13.674 -9.097 1.00 0.00 O ATOM 353 CB ASN B 3 9.288 11.263 -8.637 1.00 0.00 C ATOM 354 CG ASN B 3 10.079 9.978 -8.835 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.128 9.388 -9.905 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.724 9.500 -7.797 1.00 0.00 N ATOM 0 H ASN B 3 9.650 11.873 -11.012 1.00 0.00 H new ATOM 0 HA ASN B 3 7.608 10.513 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.968 12.111 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.885 11.275 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.264 8.639 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.685 9.989 -6.903 1.00 0.00 H new ATOM 363 N GLN B 4 6.091 11.902 -8.414 1.00 0.00 N ATOM 364 CA GLN B 4 4.975 12.601 -7.794 1.00 0.00 C ATOM 365 C GLN B 4 4.153 11.606 -6.959 1.00 0.00 C ATOM 366 O GLN B 4 4.189 10.392 -7.179 1.00 0.00 O ATOM 367 CB GLN B 4 4.108 13.274 -8.881 1.00 0.00 C ATOM 368 CG GLN B 4 3.501 12.306 -9.915 1.00 0.00 C ATOM 369 CD GLN B 4 3.049 13.035 -11.176 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.915 13.483 -11.303 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.917 13.196 -12.152 1.00 0.00 N ATOM 0 H GLN B 4 6.002 10.889 -8.328 1.00 0.00 H new ATOM 0 HA GLN B 4 5.347 13.383 -7.132 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.298 13.818 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.716 14.010 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.237 11.547 -10.178 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.652 11.786 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.864 12.828 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN B 4 3.643 13.689 -13.002 1.00 0.00 H new ATOM 380 N HIS B 5 3.388 12.137 -6.014 1.00 0.00 N ATOM 381 CA HIS B 5 2.275 11.429 -5.362 1.00 0.00 C ATOM 382 C HIS B 5 1.133 11.190 -6.368 1.00 0.00 C ATOM 383 O HIS B 5 0.849 12.051 -7.206 1.00 0.00 O ATOM 384 CB HIS B 5 1.757 12.237 -4.163 1.00 0.00 C ATOM 385 CG HIS B 5 2.781 12.556 -3.098 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.795 12.037 -1.800 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.791 13.469 -3.216 1.00 0.00 C ATOM 388 CE1 HIS B 5 3.807 12.653 -1.166 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.414 13.525 -1.988 1.00 0.00 N ATOM 0 H HIS B 5 3.519 13.087 -5.668 1.00 0.00 H new ATOM 0 HA HIS B 5 2.639 10.466 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.340 13.174 -4.532 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.939 11.684 -3.701 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.050 14.035 -4.098 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.092 12.472 -0.140 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.201 14.126 -1.745 1.00 0.00 H new ATOM 397 N LEU B 6 0.467 10.037 -6.283 1.00 0.00 N ATOM 398 CA LEU B 6 -0.575 9.578 -7.216 1.00 0.00 C ATOM 399 C LEU B 6 -1.694 8.856 -6.458 1.00 0.00 C ATOM 400 O LEU B 6 -1.410 8.054 -5.573 1.00 0.00 O ATOM 401 CB LEU B 6 0.061 8.603 -8.220 1.00 0.00 C ATOM 402 CG LEU B 6 0.926 9.241 -9.312 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.752 8.152 -9.995 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.081 9.958 -10.365 1.00 0.00 C ATOM 0 H LEU B 6 0.643 9.367 -5.534 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.000 10.439 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.674 7.890 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.735 8.034 -8.700 1.00 0.00 H new ATOM 0 HG LEU B 6 1.572 9.980 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.370 8.599 -10.774 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.391 7.665 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.084 7.414 -10.440 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.735 10.396 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.593 9.244 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.502 10.746 -9.889 1.00 0.00 H new ATOM 416 N CYS B 7 -2.958 9.085 -6.819 1.00 0.00 N ATOM 417 CA CYS B 7 -4.102 8.513 -6.087 1.00 0.00 C ATOM 418 C CYS B 7 -5.260 8.090 -7.005 1.00 0.00 C ATOM 419 O CYS B 7 -5.412 8.625 -8.103 1.00 0.00 O ATOM 420 CB CYS B 7 -4.572 9.527 -5.031 1.00 0.00 C ATOM 421 SG CYS B 7 -5.070 8.800 -3.445 1.00 0.00 S ATOM 0 H CYS B 7 -3.221 9.664 -7.616 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.766 7.596 -5.603 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.768 10.241 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.413 10.089 -5.437 1.00 0.00 H new ATOM 426 N GLY B 8 -6.092 7.142 -6.555 1.00 0.00 N ATOM 427 CA GLY B 8 -7.326 6.732 -7.242 1.00 0.00 C ATOM 428 C GLY B 8 -7.129 6.363 -8.719 1.00 0.00 C ATOM 429 O GLY B 8 -6.184 5.658 -9.080 1.00 0.00 O ATOM 0 H GLY B 8 -5.925 6.629 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.753 5.876 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -8.053 7.542 -7.175 1.00 0.00 H new ATOM 433 N SER B 9 -8.003 6.873 -9.589 1.00 0.00 N ATOM 434 CA SER B 9 -7.921 6.678 -11.044 1.00 0.00 C ATOM 435 C SER B 9 -6.640 7.254 -11.667 1.00 0.00 C ATOM 436 O SER B 9 -6.109 6.661 -12.608 1.00 0.00 O ATOM 437 CB SER B 9 -9.155 7.285 -11.723 1.00 0.00 C ATOM 438 OG SER B 9 -9.331 8.642 -11.341 1.00 0.00 O ATOM 0 H SER B 9 -8.800 7.441 -9.302 1.00 0.00 H new ATOM 0 HA SER B 9 -7.889 5.602 -11.213 1.00 0.00 H new ATOM 0 HB2 SER B 9 -9.048 7.219 -12.806 1.00 0.00 H new ATOM 0 HB3 SER B 9 -10.042 6.710 -11.455 1.00 0.00 H new ATOM 0 HG SER B 9 -10.123 9.008 -11.788 1.00 0.00 H new ATOM 444 N HIS B 10 -6.079 8.341 -11.119 1.00 0.00 N ATOM 445 CA HIS B 10 -4.817 8.926 -11.595 1.00 0.00 C ATOM 446 C HIS B 10 -3.633 7.977 -11.385 1.00 0.00 C ATOM 447 O HIS B 10 -2.780 7.871 -12.262 1.00 0.00 O ATOM 448 CB HIS B 10 -4.555 10.276 -10.904 1.00 0.00 C ATOM 449 CG HIS B 10 -5.640 11.309 -11.112 1.00 0.00 C ATOM 450 ND1 HIS B 10 -6.178 12.128 -10.113 1.00 0.00 N ATOM 451 CD2 HIS B 10 -6.253 11.604 -12.296 1.00 0.00 C ATOM 452 CE1 HIS B 10 -7.106 12.890 -10.717 1.00 0.00 C ATOM 453 NE2 HIS B 10 -7.170 12.596 -12.028 1.00 0.00 N ATOM 0 H HIS B 10 -6.489 8.841 -10.330 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.917 9.091 -12.668 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.434 10.105 -9.834 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -3.611 10.680 -11.270 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -6.057 11.148 -13.255 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -7.713 13.632 -10.221 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -7.792 13.033 -12.708 1.00 0.00 H new ATOM 461 N LEU B 11 -3.608 7.236 -10.272 1.00 0.00 N ATOM 462 CA LEU B 11 -2.607 6.198 -10.003 1.00 0.00 C ATOM 463 C LEU B 11 -2.743 5.009 -10.964 1.00 0.00 C ATOM 464 O LEU B 11 -1.747 4.571 -11.539 1.00 0.00 O ATOM 465 CB LEU B 11 -2.731 5.781 -8.527 1.00 0.00 C ATOM 466 CG LEU B 11 -1.795 4.660 -8.041 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.316 4.948 -8.291 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.002 4.500 -6.533 1.00 0.00 C ATOM 0 H LEU B 11 -4.292 7.342 -9.523 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.607 6.595 -10.179 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.555 6.662 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.759 5.466 -8.348 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.044 3.759 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.284 4.116 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.145 5.074 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.030 5.861 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.351 3.711 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.762 5.437 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.041 4.238 -6.334 1.00 0.00 H new ATOM 480 N VAL B 12 -3.971 4.527 -11.183 1.00 0.00 N ATOM 481 CA VAL B 12 -4.255 3.407 -12.100 1.00 0.00 C ATOM 482 C VAL B 12 -3.856 3.749 -13.538 1.00 0.00 C ATOM 483 O VAL B 12 -3.206 2.941 -14.199 1.00 0.00 O ATOM 484 CB VAL B 12 -5.738 2.988 -12.021 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.092 1.873 -13.014 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.076 2.465 -10.619 1.00 0.00 C ATOM 0 H VAL B 12 -4.804 4.902 -10.729 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.649 2.559 -11.782 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.311 3.883 -12.263 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.147 1.618 -12.914 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.896 2.215 -14.030 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.485 0.992 -12.804 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.126 2.174 -10.582 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.452 1.600 -10.393 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.891 3.248 -9.884 1.00 0.00 H new ATOM 496 N GLU B 13 -4.173 4.954 -14.015 1.00 0.00 N ATOM 497 CA GLU B 13 -3.755 5.419 -15.345 1.00 0.00 C ATOM 498 C GLU B 13 -2.239 5.655 -15.431 1.00 0.00 C ATOM 499 O GLU B 13 -1.610 5.203 -16.387 1.00 0.00 O ATOM 500 CB GLU B 13 -4.518 6.694 -15.736 1.00 0.00 C ATOM 501 CG GLU B 13 -5.990 6.414 -16.068 1.00 0.00 C ATOM 502 CD GLU B 13 -6.696 7.690 -16.564 1.00 0.00 C ATOM 503 OE1 GLU B 13 -7.203 8.481 -15.730 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -6.759 7.913 -17.799 1.00 0.00 O ATOM 0 H GLU B 13 -4.725 5.636 -13.494 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.999 4.626 -16.052 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.463 7.413 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.035 7.154 -16.598 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.053 5.639 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.500 6.032 -15.183 1.00 0.00 H new ATOM 511 N ALA B 14 -1.620 6.299 -14.437 1.00 0.00 N ATOM 512 CA ALA B 14 -0.190 6.615 -14.470 1.00 0.00 C ATOM 513 C ALA B 14 0.699 5.360 -14.460 1.00 0.00 C ATOM 514 O ALA B 14 1.702 5.319 -15.176 1.00 0.00 O ATOM 515 CB ALA B 14 0.147 7.537 -13.296 1.00 0.00 C ATOM 0 H ALA B 14 -2.094 6.614 -13.591 1.00 0.00 H new ATOM 0 HA ALA B 14 0.020 7.123 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.210 7.776 -13.315 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -0.433 8.456 -13.377 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.096 7.036 -12.359 1.00 0.00 H new ATOM 521 N LEU B 15 0.318 4.312 -13.715 1.00 0.00 N ATOM 522 CA LEU B 15 1.104 3.073 -13.649 1.00 0.00 C ATOM 523 C LEU B 15 0.950 2.233 -14.923 1.00 0.00 C ATOM 524 O LEU B 15 1.896 1.587 -15.366 1.00 0.00 O ATOM 525 CB LEU B 15 0.833 2.305 -12.343 1.00 0.00 C ATOM 526 CG LEU B 15 -0.501 1.541 -12.210 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.461 0.145 -12.845 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.834 1.342 -10.730 1.00 0.00 C ATOM 0 H LEU B 15 -0.531 4.299 -13.149 1.00 0.00 H new ATOM 0 HA LEU B 15 2.161 3.337 -13.614 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.642 1.588 -12.204 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.893 3.017 -11.520 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.247 2.145 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.429 -0.340 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.237 0.235 -13.908 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.311 -0.453 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.777 0.802 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.040 0.769 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.923 2.313 -10.243 1.00 0.00 H new ATOM 540 N TYR B 16 -0.218 2.304 -15.559 1.00 0.00 N ATOM 541 CA TYR B 16 -0.504 1.702 -16.860 1.00 0.00 C ATOM 542 C TYR B 16 0.238 2.422 -18.003 1.00 0.00 C ATOM 543 O TYR B 16 0.767 1.766 -18.906 1.00 0.00 O ATOM 544 CB TYR B 16 -2.033 1.725 -17.017 1.00 0.00 C ATOM 545 CG TYR B 16 -2.554 1.676 -18.431 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.830 0.445 -19.048 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.787 2.886 -19.109 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.336 0.425 -20.361 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.275 2.869 -20.430 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.543 1.634 -21.064 1.00 0.00 C ATOM 551 OH TYR B 16 -4.002 1.609 -22.344 1.00 0.00 O ATOM 0 H TYR B 16 -1.019 2.800 -15.169 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.140 0.676 -16.913 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.447 0.879 -16.469 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.413 2.629 -16.542 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.655 -0.480 -18.519 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.592 3.827 -18.617 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.567 -0.518 -20.834 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.444 3.796 -20.957 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.936 0.697 -22.698 1.00 0.00 H new ATOM 561 N LEU B 17 0.360 3.751 -17.930 1.00 0.00 N ATOM 562 CA LEU B 17 1.061 4.575 -18.922 1.00 0.00 C ATOM 563 C LEU B 17 2.584 4.399 -18.854 1.00 0.00 C ATOM 564 O LEU B 17 3.227 4.254 -19.895 1.00 0.00 O ATOM 565 CB LEU B 17 0.688 6.055 -18.722 1.00 0.00 C ATOM 566 CG LEU B 17 -0.698 6.453 -19.265 1.00 0.00 C ATOM 567 CD1 LEU B 17 -1.056 7.860 -18.784 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.748 6.448 -20.795 1.00 0.00 C ATOM 0 H LEU B 17 -0.034 4.296 -17.163 1.00 0.00 H new ATOM 0 HA LEU B 17 0.744 4.243 -19.911 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.724 6.283 -17.657 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.443 6.674 -19.206 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.408 5.715 -18.892 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.037 8.138 -19.170 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.077 7.878 -17.694 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.310 8.568 -19.144 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.746 6.735 -21.127 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.017 7.157 -21.185 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.517 5.449 -21.163 1.00 0.00 H new ATOM 580 N VAL B 18 3.165 4.365 -17.648 1.00 0.00 N ATOM 581 CA VAL B 18 4.613 4.140 -17.465 1.00 0.00 C ATOM 582 C VAL B 18 5.007 2.684 -17.761 1.00 0.00 C ATOM 583 O VAL B 18 6.104 2.423 -18.255 1.00 0.00 O ATOM 584 CB VAL B 18 5.048 4.615 -16.067 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.610 3.683 -14.940 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.557 4.795 -15.948 1.00 0.00 C ATOM 0 H VAL B 18 2.653 4.491 -16.775 1.00 0.00 H new ATOM 0 HA VAL B 18 5.157 4.740 -18.195 1.00 0.00 H new ATOM 0 HB VAL B 18 4.544 5.575 -15.957 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.952 4.082 -13.985 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.523 3.606 -14.933 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.042 2.695 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.805 5.131 -14.941 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.053 3.845 -16.146 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.893 5.538 -16.671 1.00 0.00 H new ATOM 596 N CYS B 19 4.079 1.745 -17.546 1.00 0.00 N ATOM 597 CA CYS B 19 4.188 0.348 -17.978 1.00 0.00 C ATOM 598 C CYS B 19 4.147 0.170 -19.501 1.00 0.00 C ATOM 599 O CYS B 19 4.855 -0.676 -20.055 1.00 0.00 O ATOM 600 CB CYS B 19 3.033 -0.410 -17.329 1.00 0.00 C ATOM 601 SG CYS B 19 2.859 -2.145 -17.784 1.00 0.00 S ATOM 0 H CYS B 19 3.208 1.942 -17.053 1.00 0.00 H new ATOM 0 HA CYS B 19 5.160 -0.037 -17.669 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.150 -0.350 -16.247 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.104 0.104 -17.578 1.00 0.00 H new ATOM 606 N GLY B 20 3.292 0.936 -20.181 1.00 0.00 N ATOM 607 CA GLY B 20 2.989 0.720 -21.597 1.00 0.00 C ATOM 608 C GLY B 20 2.130 -0.529 -21.817 1.00 0.00 C ATOM 609 O GLY B 20 2.370 -1.274 -22.768 1.00 0.00 O ATOM 0 H GLY B 20 2.791 1.722 -19.767 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.469 1.592 -21.993 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.920 0.623 -22.156 1.00 0.00 H new ATOM 613 N GLU B 21 1.168 -0.771 -20.917 1.00 0.00 N ATOM 614 CA GLU B 21 0.094 -1.795 -20.959 1.00 0.00 C ATOM 615 C GLU B 21 0.512 -3.277 -20.827 1.00 0.00 C ATOM 616 O GLU B 21 -0.230 -4.087 -20.266 1.00 0.00 O ATOM 617 CB GLU B 21 -0.793 -1.534 -22.198 1.00 0.00 C ATOM 618 CG GLU B 21 -2.007 -2.464 -22.338 1.00 0.00 C ATOM 619 CD GLU B 21 -2.894 -2.036 -23.526 1.00 0.00 C ATOM 620 OE1 GLU B 21 -3.779 -1.163 -23.350 1.00 0.00 O ATOM 621 OE2 GLU B 21 -2.718 -2.578 -24.645 1.00 0.00 O1- ATOM 0 H GLU B 21 1.108 -0.213 -20.065 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.470 -1.660 -20.036 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.147 -0.504 -22.162 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.177 -1.629 -23.093 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.669 -3.490 -22.482 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.591 -2.447 -21.418 1.00 0.00 H new ATOM 628 N ARG B 22 1.696 -3.641 -21.316 1.00 0.00 N ATOM 629 CA ARG B 22 2.141 -5.037 -21.535 1.00 0.00 C ATOM 630 C ARG B 22 2.575 -5.817 -20.287 1.00 0.00 C ATOM 631 O ARG B 22 2.770 -7.027 -20.367 1.00 0.00 O ATOM 632 CB ARG B 22 3.216 -5.046 -22.632 1.00 0.00 C ATOM 633 CG ARG B 22 4.543 -4.412 -22.175 1.00 0.00 C ATOM 634 CD ARG B 22 5.322 -3.842 -23.362 1.00 0.00 C ATOM 635 NE ARG B 22 4.651 -2.645 -23.908 1.00 0.00 N ATOM 636 CZ ARG B 22 4.981 -1.945 -24.974 1.00 0.00 C ATOM 637 NH1 ARG B 22 5.942 -2.295 -25.779 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 4.316 -0.860 -25.246 1.00 0.00 N ATOM 0 H ARG B 22 2.404 -2.957 -21.583 1.00 0.00 H new ATOM 0 HA ARG B 22 1.258 -5.591 -21.855 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.399 -6.074 -22.946 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.843 -4.508 -23.504 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.341 -3.619 -21.455 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.149 -5.160 -21.664 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.334 -3.585 -23.048 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.412 -4.600 -24.140 1.00 0.00 H new ATOM 0 HE ARG B 22 3.831 -2.320 -23.396 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.476 -3.144 -25.596 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.161 -1.720 -26.593 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.553 -0.564 -24.638 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.558 -0.306 -26.067 1.00 0.00 H new ATOM 652 N GLY B 23 2.743 -5.152 -19.145 1.00 0.00 N ATOM 653 CA GLY B 23 2.926 -5.788 -17.824 1.00 0.00 C ATOM 654 C GLY B 23 4.208 -6.610 -17.651 1.00 0.00 C ATOM 655 O GLY B 23 4.261 -7.508 -16.810 1.00 0.00 O ATOM 0 H GLY B 23 2.757 -4.133 -19.102 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.911 -5.009 -17.062 1.00 0.00 H new ATOM 0 HA3 GLY B 23 2.072 -6.438 -17.633 1.00 0.00 H new HETATM 659 N DHI B 24 5.227 -6.332 -18.467 1.00 0.00 N HETATM 660 CA DHI B 24 6.491 -7.083 -18.521 1.00 0.00 C HETATM 661 C DHI B 24 6.410 -8.392 -19.330 1.00 0.00 C HETATM 662 O DHI B 24 7.357 -9.181 -19.315 1.00 0.00 O HETATM 663 CB DHI B 24 7.588 -6.183 -19.100 1.00 0.00 C HETATM 664 CG DHI B 24 7.935 -5.012 -18.214 1.00 0.00 C HETATM 665 ND1 DHI B 24 8.708 -5.075 -17.049 1.00 0.00 N HETATM 666 CD2 DHI B 24 7.582 -3.716 -18.442 1.00 0.00 C HETATM 667 CE1 DHI B 24 8.810 -3.808 -16.609 1.00 0.00 C HETATM 668 NE2 DHI B 24 8.148 -2.974 -17.429 1.00 0.00 N HETATM 0 HE2 DHI B 24 8.077 -1.962 -17.320 1.00 0.00 H new HETATM 0 HE1 DHI B 24 9.352 -3.501 -15.715 1.00 0.00 H new HETATM 0 HD2 DHI B 24 6.972 -3.341 -19.264 1.00 0.00 H new HETATM 0 HD1 DHI B 24 9.111 -5.909 -16.622 1.00 0.00 H new HETATM 0 HB3 DHI B 24 8.485 -6.779 -19.269 1.00 0.00 H new HETATM 0 HB2 DHI B 24 7.266 -5.810 -20.072 1.00 0.00 H new HETATM 0 HA DHI B 24 6.723 -7.376 -17.497 1.00 0.00 H new ATOM 676 N PHE B 25 5.316 -8.615 -20.063 1.00 0.00 N ATOM 677 CA PHE B 25 5.191 -9.664 -21.081 1.00 0.00 C ATOM 678 C PHE B 25 5.575 -9.138 -22.478 1.00 0.00 C ATOM 679 O PHE B 25 5.775 -7.934 -22.675 1.00 0.00 O ATOM 680 CB PHE B 25 3.773 -10.258 -21.030 1.00 0.00 C ATOM 681 CG PHE B 25 3.370 -10.754 -19.651 1.00 0.00 C ATOM 682 CD1 PHE B 25 3.995 -11.889 -19.100 1.00 0.00 C ATOM 683 CD2 PHE B 25 2.402 -10.060 -18.898 1.00 0.00 C ATOM 684 CE1 PHE B 25 3.656 -12.327 -17.806 1.00 0.00 C ATOM 685 CE2 PHE B 25 2.063 -10.496 -17.604 1.00 0.00 C ATOM 686 CZ PHE B 25 2.691 -11.628 -17.058 1.00 0.00 C ATOM 0 H PHE B 25 4.469 -8.056 -19.963 1.00 0.00 H new ATOM 0 HA PHE B 25 5.895 -10.468 -20.866 1.00 0.00 H new ATOM 0 HB2 PHE B 25 3.059 -9.502 -21.358 1.00 0.00 H new ATOM 0 HB3 PHE B 25 3.709 -11.085 -21.737 1.00 0.00 H new ATOM 0 HD1 PHE B 25 4.737 -12.426 -19.672 1.00 0.00 H new ATOM 0 HD2 PHE B 25 1.918 -9.190 -19.316 1.00 0.00 H new ATOM 0 HE1 PHE B 25 4.136 -13.199 -17.388 1.00 0.00 H new ATOM 0 HE2 PHE B 25 1.320 -9.961 -17.031 1.00 0.00 H new ATOM 0 HZ PHE B 25 2.433 -11.962 -16.064 1.00 0.00 H new ATOM 696 N TYR B 26 5.707 -10.041 -23.454 1.00 0.00 N ATOM 697 CA TYR B 26 6.176 -9.725 -24.810 1.00 0.00 C ATOM 698 C TYR B 26 5.259 -8.730 -25.550 1.00 0.00 C ATOM 699 O TYR B 26 4.033 -8.775 -25.421 1.00 0.00 O ATOM 700 CB TYR B 26 6.339 -11.025 -25.615 1.00 0.00 C ATOM 701 CG TYR B 26 7.236 -12.059 -24.955 1.00 0.00 C ATOM 702 CD1 TYR B 26 8.632 -11.865 -24.928 1.00 0.00 C ATOM 703 CD2 TYR B 26 6.675 -13.205 -24.355 1.00 0.00 C ATOM 704 CE1 TYR B 26 9.467 -12.811 -24.301 1.00 0.00 C ATOM 705 CE2 TYR B 26 7.508 -14.152 -23.726 1.00 0.00 C ATOM 706 CZ TYR B 26 8.906 -13.958 -23.697 1.00 0.00 C ATOM 707 OH TYR B 26 9.703 -14.879 -23.087 1.00 0.00 O ATOM 0 H TYR B 26 5.488 -11.029 -23.324 1.00 0.00 H new ATOM 0 HA TYR B 26 7.142 -9.229 -24.714 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.355 -11.465 -25.777 1.00 0.00 H new ATOM 0 HB3 TYR B 26 6.745 -10.782 -26.597 1.00 0.00 H new ATOM 0 HD1 TYR B 26 9.063 -10.989 -25.389 1.00 0.00 H new ATOM 0 HD2 TYR B 26 5.606 -13.357 -24.377 1.00 0.00 H new ATOM 0 HE1 TYR B 26 10.536 -12.659 -24.282 1.00 0.00 H new ATOM 0 HE2 TYR B 26 7.076 -15.028 -23.265 1.00 0.00 H new ATOM 0 HH TYR B 26 9.149 -15.602 -22.725 1.00 0.00 H new ATOM 717 N THR B 27 5.858 -7.842 -26.353 1.00 0.00 N ATOM 718 CA THR B 27 5.134 -6.801 -27.116 1.00 0.00 C ATOM 719 C THR B 27 4.350 -7.345 -28.331 1.00 0.00 C ATOM 720 O THR B 27 3.207 -6.913 -28.522 1.00 0.00 O ATOM 721 CB THR B 27 6.069 -5.640 -27.511 1.00 0.00 C ATOM 722 OG1 THR B 27 6.638 -5.058 -26.351 1.00 0.00 O ATOM 723 CG2 THR B 27 5.353 -4.504 -28.241 1.00 0.00 C ATOM 0 H THR B 27 6.868 -7.820 -26.497 1.00 0.00 H new ATOM 0 HA THR B 27 4.376 -6.411 -26.437 1.00 0.00 H new ATOM 0 HB THR B 27 6.814 -6.084 -28.172 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.446 -4.561 -26.597 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.070 -3.722 -28.489 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.903 -4.887 -29.157 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.575 -4.092 -27.599 1.00 0.00 H new ATOM 731 N PRO B 28 4.879 -8.284 -29.148 1.00 0.00 N ATOM 732 CA PRO B 28 4.160 -8.839 -30.301 1.00 0.00 C ATOM 733 C PRO B 28 2.894 -9.628 -29.924 1.00 0.00 C ATOM 734 O PRO B 28 2.824 -10.257 -28.863 1.00 0.00 O ATOM 735 CB PRO B 28 5.167 -9.725 -31.046 1.00 0.00 C ATOM 736 CG PRO B 28 6.519 -9.149 -30.631 1.00 0.00 C ATOM 737 CD PRO B 28 6.259 -8.746 -29.183 1.00 0.00 C ATOM 0 HA PRO B 28 3.790 -8.025 -30.924 1.00 0.00 H new ATOM 0 HB2 PRO B 28 5.071 -10.772 -30.759 1.00 0.00 H new ATOM 0 HB3 PRO B 28 5.024 -9.676 -32.125 1.00 0.00 H new ATOM 0 HG2 PRO B 28 7.319 -9.885 -30.713 1.00 0.00 H new ATOM 0 HG3 PRO B 28 6.806 -8.297 -31.247 1.00 0.00 H new ATOM 0 HD2 PRO B 28 6.407 -9.589 -28.509 1.00 0.00 H new ATOM 0 HD3 PRO B 28 6.944 -7.960 -28.866 1.00 0.00 H new ATOM 745 N LYS B 29 1.900 -9.634 -30.825 1.00 0.00 N ATOM 746 CA LYS B 29 0.602 -10.319 -30.639 1.00 0.00 C ATOM 747 C LYS B 29 0.648 -11.837 -30.892 1.00 0.00 C ATOM 748 O LYS B 29 -0.256 -12.551 -30.445 1.00 0.00 O ATOM 749 CB LYS B 29 -0.465 -9.653 -31.529 1.00 0.00 C ATOM 750 CG LYS B 29 -0.739 -8.193 -31.134 1.00 0.00 C ATOM 751 CD LYS B 29 -1.855 -7.588 -31.996 1.00 0.00 C ATOM 752 CE LYS B 29 -2.113 -6.134 -31.581 1.00 0.00 C ATOM 753 NZ LYS B 29 -3.193 -5.517 -32.395 1.00 0.00 N1+ ATOM 0 H LYS B 29 1.973 -9.155 -31.722 1.00 0.00 H new ATOM 0 HA LYS B 29 0.341 -10.209 -29.586 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -0.139 -9.689 -32.569 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -1.392 -10.222 -31.466 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -1.021 -8.144 -30.082 1.00 0.00 H new ATOM 0 HG3 LYS B 29 0.172 -7.605 -31.248 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -1.575 -7.630 -33.049 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -2.768 -8.173 -31.886 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -2.386 -6.099 -30.526 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -1.196 -5.555 -31.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -3.341 -4.535 -32.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.921 -5.529 -33.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.074 -6.056 -32.269 1.00 0.00 H new ATOM 767 N THR B 30 1.691 -12.325 -31.573 1.00 0.00 N ATOM 768 CA THR B 30 1.891 -13.732 -31.989 1.00 0.00 C ATOM 769 C THR B 30 3.325 -14.187 -31.716 1.00 0.00 C ATOM 770 O THR B 30 3.504 -15.179 -30.974 1.00 0.00 O ATOM 771 CB THR B 30 1.546 -13.922 -33.475 1.00 0.00 C ATOM 772 OG1 THR B 30 0.242 -13.436 -33.727 1.00 0.00 O ATOM 773 CG2 THR B 30 1.575 -15.395 -33.896 1.00 0.00 C ATOM 774 OXT THR B 30 4.271 -13.539 -32.222 1.00 0.00 O1- ATOM 0 H THR B 30 2.462 -11.725 -31.867 1.00 0.00 H new ATOM 0 HA THR B 30 1.216 -14.350 -31.397 1.00 0.00 H new ATOM 0 HB THR B 30 2.298 -13.375 -34.044 1.00 0.00 H new ATOM 0 HG1 THR B 30 0.025 -13.557 -34.675 1.00 0.00 H new ATOM 0 HG21 THR B 30 1.325 -15.476 -34.954 1.00 0.00 H new ATOM 0 HG22 THR B 30 2.572 -15.802 -33.727 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.849 -15.956 -33.307 1.00 0.00 H new TER 782 THR B 30