USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00925 USER MOD Single : A 8 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.5) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0.0454 (180deg=0.0246) USER MOD Single : A 23 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.031) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0071 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -92:sc= 0.364 USER MOD Single : A 34 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.28) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.023) USER MOD Single : A 39 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.792 -2.618 7.700 1.00 53.34 N ATOM 2 CA GLY A 1 -25.626 -2.698 6.838 1.00 33.54 C ATOM 3 C GLY A 1 -24.479 -1.845 7.336 1.00 64.03 C ATOM 4 O GLY A 1 -24.462 -0.632 7.132 1.00 24.04 O ATOM 0 H1 GLY A 1 -27.549 -3.219 7.316 1.00 53.34 H new ATOM 0 H2 GLY A 1 -26.541 -2.945 8.655 1.00 53.34 H new ATOM 0 H3 GLY A 1 -27.122 -1.633 7.747 1.00 53.34 H new ATOM 0 HA2 GLY A 1 -25.300 -3.736 6.769 1.00 33.54 H new ATOM 0 HA3 GLY A 1 -25.900 -2.382 5.831 1.00 33.54 H new ATOM 8 N THR A 2 -23.514 -2.479 7.994 1.00 60.24 N ATOM 9 CA THR A 2 -22.355 -1.769 8.526 1.00 54.51 C ATOM 10 C THR A 2 -21.573 -1.083 7.412 1.00 71.11 C ATOM 11 O THR A 2 -20.776 -0.180 7.668 1.00 14.05 O ATOM 12 CB THR A 2 -21.413 -2.723 9.287 1.00 62.42 C ATOM 13 OG1 THR A 2 -21.248 -3.939 8.552 1.00 1.04 O ATOM 14 CG2 THR A 2 -21.960 -3.031 10.673 1.00 22.40 C ATOM 0 H THR A 2 -23.511 -3.483 8.172 1.00 60.24 H new ATOM 0 HA THR A 2 -22.734 -1.016 9.217 1.00 54.51 H new ATOM 0 HB THR A 2 -20.446 -2.232 9.396 1.00 62.42 H new ATOM 0 HG1 THR A 2 -20.647 -4.538 9.042 1.00 1.04 H new ATOM 0 HG21 THR A 2 -21.279 -3.706 11.191 1.00 22.40 H new ATOM 0 HG22 THR A 2 -22.055 -2.105 11.240 1.00 22.40 H new ATOM 0 HG23 THR A 2 -22.938 -3.503 10.581 1.00 22.40 H new ATOM 22 N TRP A 3 -21.806 -1.515 6.178 1.00 31.21 N ATOM 23 CA TRP A 3 -21.123 -0.940 5.025 1.00 41.21 C ATOM 24 C TRP A 3 -21.236 0.582 5.030 1.00 11.12 C ATOM 25 O TRP A 3 -20.358 1.278 4.522 1.00 31.43 O ATOM 26 CB TRP A 3 -21.705 -1.502 3.729 1.00 3.44 C ATOM 27 CG TRP A 3 -21.723 -3.000 3.688 1.00 1.35 C ATOM 28 CD1 TRP A 3 -22.776 -3.816 3.993 1.00 44.31 C ATOM 29 CD2 TRP A 3 -20.640 -3.861 3.320 1.00 42.33 C ATOM 30 NE1 TRP A 3 -22.411 -5.132 3.839 1.00 4.10 N ATOM 31 CE2 TRP A 3 -21.106 -5.186 3.426 1.00 4.52 C ATOM 32 CE3 TRP A 3 -19.321 -3.641 2.912 1.00 14.50 C ATOM 33 CZ2 TRP A 3 -20.299 -6.285 3.138 1.00 13.00 C ATOM 34 CZ3 TRP A 3 -18.522 -4.732 2.627 1.00 0.21 C ATOM 35 CH2 TRP A 3 -19.012 -6.041 2.741 1.00 34.00 C ATOM 0 H TRP A 3 -22.463 -2.262 5.950 1.00 31.21 H new ATOM 0 HA TRP A 3 -20.068 -1.209 5.087 1.00 41.21 H new ATOM 0 HB2 TRP A 3 -22.722 -1.130 3.604 1.00 3.44 H new ATOM 0 HB3 TRP A 3 -21.123 -1.129 2.886 1.00 3.44 H new ATOM 0 HD1 TRP A 3 -23.751 -3.477 4.309 1.00 44.31 H new ATOM 0 HE1 TRP A 3 -23.014 -5.938 4.005 1.00 4.10 H new ATOM 0 HE3 TRP A 3 -18.934 -2.637 2.821 1.00 14.50 H new ATOM 0 HZ2 TRP A 3 -20.676 -7.293 3.225 1.00 13.00 H new ATOM 0 HZ3 TRP A 3 -17.502 -4.574 2.311 1.00 0.21 H new ATOM 0 HH2 TRP A 3 -18.362 -6.872 2.511 1.00 34.00 H new ATOM 46 N ASP A 4 -22.319 1.089 5.606 1.00 43.43 N ATOM 47 CA ASP A 4 -22.545 2.526 5.678 1.00 33.24 C ATOM 48 C ASP A 4 -21.445 3.210 6.485 1.00 25.30 C ATOM 49 O ASP A 4 -20.865 4.203 6.045 1.00 13.42 O ATOM 50 CB ASP A 4 -23.910 2.820 6.302 1.00 52.51 C ATOM 51 CG ASP A 4 -24.390 4.228 6.007 1.00 71.12 C ATOM 52 OD1 ASP A 4 -24.563 4.559 4.816 1.00 34.34 O ATOM 53 OD2 ASP A 4 -24.594 4.997 6.969 1.00 63.30 O ATOM 0 H ASP A 4 -23.055 0.525 6.030 1.00 43.43 H new ATOM 0 HA ASP A 4 -22.526 2.922 4.663 1.00 33.24 H new ATOM 0 HB2 ASP A 4 -24.640 2.104 5.925 1.00 52.51 H new ATOM 0 HB3 ASP A 4 -23.851 2.678 7.381 1.00 52.51 H new ATOM 59 N ASP A 5 -21.167 2.674 7.667 1.00 35.14 N ATOM 60 CA ASP A 5 -20.137 3.230 8.537 1.00 63.22 C ATOM 61 C ASP A 5 -18.745 2.816 8.066 1.00 35.21 C ATOM 62 O ASP A 5 -17.830 3.638 8.002 1.00 55.11 O ATOM 63 CB ASP A 5 -20.356 2.779 9.980 1.00 14.43 C ATOM 64 CG ASP A 5 -21.227 3.740 10.763 1.00 64.33 C ATOM 65 OD1 ASP A 5 -21.772 4.681 10.148 1.00 35.22 O ATOM 66 OD2 ASP A 5 -21.362 3.556 11.990 1.00 10.14 O ATOM 0 H ASP A 5 -21.641 1.854 8.046 1.00 35.14 H new ATOM 0 HA ASP A 5 -20.208 4.317 8.492 1.00 63.22 H new ATOM 0 HB2 ASP A 5 -20.817 1.791 9.982 1.00 14.43 H new ATOM 0 HB3 ASP A 5 -19.391 2.681 10.477 1.00 14.43 H new ATOM 72 N ILE A 6 -18.594 1.536 7.742 1.00 25.31 N ATOM 73 CA ILE A 6 -17.316 1.013 7.278 1.00 4.03 C ATOM 74 C ILE A 6 -16.872 1.702 5.991 1.00 42.34 C ATOM 75 O ILE A 6 -15.681 1.819 5.716 1.00 40.31 O ATOM 76 CB ILE A 6 -17.382 -0.506 7.036 1.00 34.34 C ATOM 77 CG1 ILE A 6 -17.882 -1.221 8.293 1.00 12.21 C ATOM 78 CG2 ILE A 6 -16.018 -1.037 6.623 1.00 63.02 C ATOM 79 CD1 ILE A 6 -18.215 -2.679 8.065 1.00 74.15 C ATOM 0 H ILE A 6 -19.341 0.843 7.792 1.00 25.31 H new ATOM 0 HA ILE A 6 -16.590 1.216 8.065 1.00 4.03 H new ATOM 0 HB ILE A 6 -18.084 -0.701 6.226 1.00 34.34 H new ATOM 0 HG12 ILE A 6 -17.121 -1.147 9.070 1.00 12.21 H new ATOM 0 HG13 ILE A 6 -18.769 -0.708 8.665 1.00 12.21 H new ATOM 0 HG21 ILE A 6 -16.082 -2.112 6.456 1.00 63.02 H new ATOM 0 HG22 ILE A 6 -15.699 -0.545 5.704 1.00 63.02 H new ATOM 0 HG23 ILE A 6 -15.294 -0.835 7.413 1.00 63.02 H new ATOM 0 HD11 ILE A 6 -18.563 -3.123 8.998 1.00 74.15 H new ATOM 0 HD12 ILE A 6 -18.998 -2.760 7.311 1.00 74.15 H new ATOM 0 HD13 ILE A 6 -17.325 -3.206 7.722 1.00 74.15 H new ATOM 91 N GLY A 7 -17.844 2.158 5.206 1.00 63.35 N ATOM 92 CA GLY A 7 -17.535 2.832 3.958 1.00 71.24 C ATOM 93 C GLY A 7 -17.122 4.274 4.164 1.00 41.15 C ATOM 94 O GLY A 7 -16.311 4.809 3.407 1.00 15.20 O ATOM 0 H GLY A 7 -18.839 2.073 5.412 1.00 63.35 H new ATOM 0 HA2 GLY A 7 -16.733 2.297 3.449 1.00 71.24 H new ATOM 0 HA3 GLY A 7 -18.407 2.797 3.305 1.00 71.24 H new ATOM 98 N GLN A 8 -17.678 4.908 5.191 1.00 73.34 N ATOM 99 CA GLN A 8 -17.363 6.299 5.495 1.00 43.12 C ATOM 100 C GLN A 8 -15.896 6.453 5.879 1.00 41.41 C ATOM 101 O GLN A 8 -15.231 7.400 5.462 1.00 61.22 O ATOM 102 CB GLN A 8 -18.257 6.813 6.625 1.00 53.40 C ATOM 103 CG GLN A 8 -17.913 8.222 7.079 1.00 3.11 C ATOM 104 CD GLN A 8 -17.977 9.229 5.948 1.00 62.35 C ATOM 105 OE1 GLN A 8 -18.649 9.007 4.940 1.00 64.31 O ATOM 106 NE2 GLN A 8 -17.278 10.347 6.111 1.00 40.14 N ATOM 0 H GLN A 8 -18.350 4.480 5.828 1.00 73.34 H new ATOM 0 HA GLN A 8 -17.549 6.891 4.599 1.00 43.12 H new ATOM 0 HB2 GLN A 8 -19.295 6.790 6.295 1.00 53.40 H new ATOM 0 HB3 GLN A 8 -18.178 6.136 7.476 1.00 53.40 H new ATOM 0 HG2 GLN A 8 -18.601 8.524 7.869 1.00 3.11 H new ATOM 0 HG3 GLN A 8 -16.912 8.227 7.509 1.00 3.11 H new ATOM 0 HE21 GLN A 8 -16.735 10.489 6.963 1.00 40.14 H new ATOM 0 HE22 GLN A 8 -17.284 11.063 5.385 1.00 40.14 H new ATOM 115 N GLY A 9 -15.397 5.514 6.678 1.00 4.33 N ATOM 116 CA GLY A 9 -14.011 5.566 7.105 1.00 72.11 C ATOM 117 C GLY A 9 -13.056 5.064 6.039 1.00 33.10 C ATOM 118 O GLY A 9 -12.289 5.840 5.471 1.00 24.52 O ATOM 0 H GLY A 9 -15.927 4.720 7.036 1.00 4.33 H new ATOM 0 HA2 GLY A 9 -13.753 6.592 7.366 1.00 72.11 H new ATOM 0 HA3 GLY A 9 -13.890 4.968 8.008 1.00 72.11 H new ATOM 122 N ILE A 10 -13.102 3.763 5.771 1.00 5.24 N ATOM 123 CA ILE A 10 -12.234 3.161 4.767 1.00 64.34 C ATOM 124 C ILE A 10 -12.331 3.904 3.438 1.00 33.13 C ATOM 125 O ILE A 10 -11.376 3.944 2.665 1.00 21.34 O ATOM 126 CB ILE A 10 -12.581 1.679 4.540 1.00 13.42 C ATOM 127 CG1 ILE A 10 -12.471 0.901 5.852 1.00 52.21 C ATOM 128 CG2 ILE A 10 -11.667 1.076 3.483 1.00 43.42 C ATOM 129 CD1 ILE A 10 -11.092 0.952 6.472 1.00 11.32 C ATOM 0 H ILE A 10 -13.730 3.107 6.235 1.00 5.24 H new ATOM 0 HA ILE A 10 -11.215 3.234 5.147 1.00 64.34 H new ATOM 0 HB ILE A 10 -13.609 1.613 4.184 1.00 13.42 H new ATOM 0 HG12 ILE A 10 -13.195 1.299 6.563 1.00 52.21 H new ATOM 0 HG13 ILE A 10 -12.741 -0.140 5.672 1.00 52.21 H new ATOM 0 HG21 ILE A 10 -11.925 0.028 3.334 1.00 43.42 H new ATOM 0 HG22 ILE A 10 -11.790 1.617 2.545 1.00 43.42 H new ATOM 0 HG23 ILE A 10 -10.631 1.151 3.812 1.00 43.42 H new ATOM 0 HD11 ILE A 10 -11.088 0.379 7.399 1.00 11.32 H new ATOM 0 HD12 ILE A 10 -10.366 0.526 5.780 1.00 11.32 H new ATOM 0 HD13 ILE A 10 -10.827 1.988 6.685 1.00 11.32 H new ATOM 141 N GLY A 11 -13.496 4.493 3.179 1.00 0.54 N ATOM 142 CA GLY A 11 -13.698 5.227 1.944 1.00 52.20 C ATOM 143 C GLY A 11 -12.789 6.434 1.833 1.00 1.22 C ATOM 144 O GLY A 11 -12.094 6.606 0.831 1.00 41.12 O ATOM 0 H GLY A 11 -14.303 4.474 3.803 1.00 0.54 H new ATOM 0 HA2 GLY A 11 -13.521 4.564 1.097 1.00 52.20 H new ATOM 0 HA3 GLY A 11 -14.737 5.551 1.883 1.00 52.20 H new ATOM 148 N ARG A 12 -12.793 7.274 2.864 1.00 31.33 N ATOM 149 CA ARG A 12 -11.965 8.474 2.876 1.00 52.31 C ATOM 150 C ARG A 12 -10.513 8.128 3.192 1.00 13.30 C ATOM 151 O ARG A 12 -9.587 8.777 2.703 1.00 35.22 O ATOM 152 CB ARG A 12 -12.498 9.476 3.902 1.00 70.04 C ATOM 153 CG ARG A 12 -13.935 9.898 3.652 1.00 60.02 C ATOM 154 CD ARG A 12 -14.046 10.809 2.440 1.00 53.40 C ATOM 155 NE ARG A 12 -15.435 11.032 2.049 1.00 13.34 N ATOM 156 CZ ARG A 12 -16.258 11.851 2.695 1.00 21.14 C ATOM 157 NH1 ARG A 12 -15.835 12.518 3.758 1.00 53.12 N ATOM 158 NH2 ARG A 12 -17.508 12.000 2.276 1.00 74.43 N ATOM 0 H ARG A 12 -13.361 7.145 3.702 1.00 31.33 H new ATOM 0 HA ARG A 12 -12.005 8.924 1.884 1.00 52.31 H new ATOM 0 HB2 ARG A 12 -12.425 9.037 4.897 1.00 70.04 H new ATOM 0 HB3 ARG A 12 -11.862 10.361 3.897 1.00 70.04 H new ATOM 0 HG2 ARG A 12 -14.554 9.014 3.501 1.00 60.02 H new ATOM 0 HG3 ARG A 12 -14.322 10.412 4.532 1.00 60.02 H new ATOM 0 HD2 ARG A 12 -13.574 11.766 2.661 1.00 53.40 H new ATOM 0 HD3 ARG A 12 -13.500 10.370 1.605 1.00 53.40 H new ATOM 0 HE ARG A 12 -15.793 10.532 1.235 1.00 13.34 H new ATOM 0 HH11 ARG A 12 -14.875 12.404 4.083 1.00 53.12 H new ATOM 0 HH12 ARG A 12 -16.469 13.146 4.252 1.00 53.12 H new ATOM 0 HH21 ARG A 12 -17.837 11.486 1.459 1.00 74.43 H new ATOM 0 HH22 ARG A 12 -18.140 12.629 2.771 1.00 74.43 H new ATOM 172 N VAL A 13 -10.319 7.100 4.014 1.00 70.30 N ATOM 173 CA VAL A 13 -8.981 6.668 4.395 1.00 14.40 C ATOM 174 C VAL A 13 -8.248 6.043 3.214 1.00 53.42 C ATOM 175 O VAL A 13 -7.051 6.259 3.027 1.00 31.44 O ATOM 176 CB VAL A 13 -9.027 5.653 5.553 1.00 21.54 C ATOM 177 CG1 VAL A 13 -7.623 5.191 5.914 1.00 31.13 C ATOM 178 CG2 VAL A 13 -9.726 6.257 6.761 1.00 40.31 C ATOM 0 H VAL A 13 -11.073 6.552 4.428 1.00 70.30 H new ATOM 0 HA VAL A 13 -8.443 7.557 4.723 1.00 14.40 H new ATOM 0 HB VAL A 13 -9.597 4.782 5.229 1.00 21.54 H new ATOM 0 HG11 VAL A 13 -7.675 4.475 6.734 1.00 31.13 H new ATOM 0 HG12 VAL A 13 -7.162 4.718 5.047 1.00 31.13 H new ATOM 0 HG13 VAL A 13 -7.025 6.049 6.220 1.00 31.13 H new ATOM 0 HG21 VAL A 13 -9.750 5.527 7.570 1.00 40.31 H new ATOM 0 HG22 VAL A 13 -9.184 7.144 7.089 1.00 40.31 H new ATOM 0 HG23 VAL A 13 -10.745 6.533 6.491 1.00 40.31 H new ATOM 188 N ALA A 14 -8.975 5.264 2.419 1.00 20.13 N ATOM 189 CA ALA A 14 -8.396 4.608 1.254 1.00 4.33 C ATOM 190 C ALA A 14 -7.693 5.614 0.350 1.00 73.43 C ATOM 191 O ALA A 14 -6.699 5.292 -0.301 1.00 53.24 O ATOM 192 CB ALA A 14 -9.471 3.859 0.479 1.00 63.33 C ATOM 0 H ALA A 14 -9.967 5.072 2.561 1.00 20.13 H new ATOM 0 HA ALA A 14 -7.652 3.892 1.604 1.00 4.33 H new ATOM 0 HB1 ALA A 14 -9.023 3.374 -0.388 1.00 63.33 H new ATOM 0 HB2 ALA A 14 -9.925 3.105 1.122 1.00 63.33 H new ATOM 0 HB3 ALA A 14 -10.236 4.561 0.147 1.00 63.33 H new ATOM 198 N TYR A 15 -8.217 6.835 0.312 1.00 53.24 N ATOM 199 CA TYR A 15 -7.642 7.888 -0.516 1.00 22.32 C ATOM 200 C TYR A 15 -6.333 8.396 0.082 1.00 0.14 C ATOM 201 O TYR A 15 -5.444 8.850 -0.639 1.00 63.31 O ATOM 202 CB TYR A 15 -8.631 9.045 -0.666 1.00 73.12 C ATOM 203 CG TYR A 15 -8.044 10.257 -1.350 1.00 65.00 C ATOM 204 CD1 TYR A 15 -7.717 10.228 -2.701 1.00 25.43 C ATOM 205 CD2 TYR A 15 -7.815 11.434 -0.649 1.00 13.13 C ATOM 206 CE1 TYR A 15 -7.179 11.333 -3.331 1.00 5.35 C ATOM 207 CE2 TYR A 15 -7.279 12.546 -1.271 1.00 33.21 C ATOM 208 CZ TYR A 15 -6.963 12.490 -2.613 1.00 0.00 C ATOM 209 OH TYR A 15 -6.429 13.594 -3.235 1.00 25.54 O ATOM 0 H TYR A 15 -9.039 7.119 0.845 1.00 53.24 H new ATOM 0 HA TYR A 15 -7.433 7.469 -1.500 1.00 22.32 H new ATOM 0 HB2 TYR A 15 -9.496 8.701 -1.233 1.00 73.12 H new ATOM 0 HB3 TYR A 15 -8.992 9.334 0.321 1.00 73.12 H new ATOM 0 HD1 TYR A 15 -7.887 9.325 -3.268 1.00 25.43 H new ATOM 0 HD2 TYR A 15 -8.060 11.481 0.402 1.00 13.13 H new ATOM 0 HE1 TYR A 15 -6.929 11.291 -4.381 1.00 5.35 H new ATOM 0 HE2 TYR A 15 -7.109 13.453 -0.710 1.00 33.21 H new ATOM 0 HH TYR A 15 -6.343 14.324 -2.587 1.00 25.54 H new ATOM 219 N TRP A 16 -6.224 8.318 1.402 1.00 44.20 N ATOM 220 CA TRP A 16 -5.024 8.769 2.098 1.00 1.44 C ATOM 221 C TRP A 16 -3.909 7.735 1.986 1.00 55.14 C ATOM 222 O TRP A 16 -2.755 8.076 1.724 1.00 74.42 O ATOM 223 CB TRP A 16 -5.336 9.045 3.570 1.00 13.32 C ATOM 224 CG TRP A 16 -5.852 10.430 3.818 1.00 23.02 C ATOM 225 CD1 TRP A 16 -7.160 10.809 3.925 1.00 71.21 C ATOM 226 CD2 TRP A 16 -5.072 11.618 3.988 1.00 72.33 C ATOM 227 NE1 TRP A 16 -7.239 12.163 4.152 1.00 33.32 N ATOM 228 CE2 TRP A 16 -5.972 12.681 4.194 1.00 51.35 C ATOM 229 CE3 TRP A 16 -3.700 11.885 3.987 1.00 34.34 C ATOM 230 CZ2 TRP A 16 -5.542 13.990 4.397 1.00 34.43 C ATOM 231 CZ3 TRP A 16 -3.277 13.185 4.187 1.00 3.14 C ATOM 232 CH2 TRP A 16 -4.194 14.225 4.391 1.00 73.10 C ATOM 0 H TRP A 16 -6.952 7.947 2.013 1.00 44.20 H new ATOM 0 HA TRP A 16 -4.686 9.692 1.627 1.00 1.44 H new ATOM 0 HB2 TRP A 16 -6.073 8.322 3.919 1.00 13.32 H new ATOM 0 HB3 TRP A 16 -4.433 8.890 4.161 1.00 13.32 H new ATOM 0 HD1 TRP A 16 -8.007 10.144 3.843 1.00 71.21 H new ATOM 0 HE1 TRP A 16 -8.101 12.695 4.270 1.00 33.32 H new ATOM 0 HE3 TRP A 16 -2.985 11.091 3.833 1.00 34.34 H new ATOM 0 HZ2 TRP A 16 -6.248 14.792 4.554 1.00 34.43 H new ATOM 0 HZ3 TRP A 16 -2.219 13.404 4.186 1.00 3.14 H new ATOM 0 HH2 TRP A 16 -3.830 15.230 4.546 1.00 73.10 H new ATOM 243 N VAL A 17 -4.259 6.469 2.188 1.00 23.55 N ATOM 244 CA VAL A 17 -3.288 5.385 2.109 1.00 74.24 C ATOM 245 C VAL A 17 -2.781 5.203 0.683 1.00 11.22 C ATOM 246 O VAL A 17 -1.617 4.870 0.463 1.00 13.35 O ATOM 247 CB VAL A 17 -3.889 4.054 2.602 1.00 63.05 C ATOM 248 CG1 VAL A 17 -5.086 3.661 1.750 1.00 31.32 C ATOM 249 CG2 VAL A 17 -2.835 2.958 2.593 1.00 3.31 C ATOM 0 H VAL A 17 -5.209 6.169 2.408 1.00 23.55 H new ATOM 0 HA VAL A 17 -2.455 5.660 2.756 1.00 74.24 H new ATOM 0 HB VAL A 17 -4.232 4.188 3.628 1.00 63.05 H new ATOM 0 HG11 VAL A 17 -5.497 2.719 2.113 1.00 31.32 H new ATOM 0 HG12 VAL A 17 -5.848 4.438 1.813 1.00 31.32 H new ATOM 0 HG13 VAL A 17 -4.772 3.544 0.713 1.00 31.32 H new ATOM 0 HG21 VAL A 17 -3.277 2.025 2.944 1.00 3.31 H new ATOM 0 HG22 VAL A 17 -2.460 2.823 1.579 1.00 3.31 H new ATOM 0 HG23 VAL A 17 -2.012 3.239 3.250 1.00 3.31 H new ATOM 259 N GLY A 18 -3.665 5.425 -0.286 1.00 34.43 N ATOM 260 CA GLY A 18 -3.290 5.283 -1.680 1.00 42.40 C ATOM 261 C GLY A 18 -2.291 6.333 -2.123 1.00 33.30 C ATOM 262 O GLY A 18 -1.333 6.030 -2.835 1.00 61.24 O ATOM 0 H GLY A 18 -4.634 5.701 -0.129 1.00 34.43 H new ATOM 0 HA2 GLY A 18 -2.865 4.292 -1.839 1.00 42.40 H new ATOM 0 HA3 GLY A 18 -4.183 5.351 -2.302 1.00 42.40 H new ATOM 266 N LYS A 19 -2.516 7.574 -1.703 1.00 31.15 N ATOM 267 CA LYS A 19 -1.630 8.676 -2.060 1.00 30.34 C ATOM 268 C LYS A 19 -0.310 8.580 -1.302 1.00 65.02 C ATOM 269 O LYS A 19 0.741 8.962 -1.815 1.00 3.31 O ATOM 270 CB LYS A 19 -2.306 10.017 -1.764 1.00 41.20 C ATOM 271 CG LYS A 19 -2.608 10.234 -0.291 1.00 64.32 C ATOM 272 CD LYS A 19 -3.146 11.630 -0.033 1.00 22.34 C ATOM 273 CE LYS A 19 -2.053 12.681 -0.157 1.00 72.12 C ATOM 274 NZ LYS A 19 -2.320 13.864 0.710 1.00 14.23 N ATOM 0 H LYS A 19 -3.305 7.842 -1.115 1.00 31.15 H new ATOM 0 HA LYS A 19 -1.420 8.610 -3.128 1.00 30.34 H new ATOM 0 HB2 LYS A 19 -1.664 10.824 -2.117 1.00 41.20 H new ATOM 0 HB3 LYS A 19 -3.236 10.078 -2.330 1.00 41.20 H new ATOM 0 HG2 LYS A 19 -3.335 9.495 0.045 1.00 64.32 H new ATOM 0 HG3 LYS A 19 -1.702 10.078 0.294 1.00 64.32 H new ATOM 0 HD2 LYS A 19 -3.945 11.850 -0.741 1.00 22.34 H new ATOM 0 HD3 LYS A 19 -3.583 11.674 0.965 1.00 22.34 H new ATOM 0 HE2 LYS A 19 -1.093 12.241 0.114 1.00 72.12 H new ATOM 0 HE3 LYS A 19 -1.974 13.002 -1.196 1.00 72.12 H new ATOM 0 HZ1 LYS A 19 -1.463 14.451 0.770 1.00 14.23 H new ATOM 0 HZ2 LYS A 19 -3.096 14.425 0.303 1.00 14.23 H new ATOM 0 HZ3 LYS A 19 -2.587 13.543 1.662 1.00 14.23 H new ATOM 288 N ALA A 20 -0.372 8.068 -0.077 1.00 62.42 N ATOM 289 CA ALA A 20 0.818 7.919 0.750 1.00 40.24 C ATOM 290 C ALA A 20 1.770 6.883 0.162 1.00 52.04 C ATOM 291 O ALA A 20 2.983 6.960 0.353 1.00 63.04 O ATOM 292 CB ALA A 20 0.429 7.536 2.170 1.00 45.24 C ATOM 0 H ALA A 20 -1.235 7.749 0.364 1.00 62.42 H new ATOM 0 HA ALA A 20 1.336 8.878 0.773 1.00 40.24 H new ATOM 0 HB1 ALA A 20 1.328 7.428 2.777 1.00 45.24 H new ATOM 0 HB2 ALA A 20 -0.205 8.314 2.596 1.00 45.24 H new ATOM 0 HB3 ALA A 20 -0.115 6.592 2.156 1.00 45.24 H new ATOM 298 N LEU A 21 1.211 5.912 -0.553 1.00 44.45 N ATOM 299 CA LEU A 21 2.011 4.859 -1.169 1.00 34.44 C ATOM 300 C LEU A 21 2.724 5.373 -2.415 1.00 63.44 C ATOM 301 O LEU A 21 3.775 4.861 -2.797 1.00 22.15 O ATOM 302 CB LEU A 21 1.124 3.664 -1.531 1.00 63.32 C ATOM 303 CG LEU A 21 1.165 2.481 -0.565 1.00 45.30 C ATOM 304 CD1 LEU A 21 -0.234 1.936 -0.329 1.00 32.12 C ATOM 305 CD2 LEU A 21 2.082 1.390 -1.100 1.00 74.25 C ATOM 0 H LEU A 21 0.208 5.832 -0.720 1.00 44.45 H new ATOM 0 HA LEU A 21 2.764 4.541 -0.448 1.00 34.44 H new ATOM 0 HB2 LEU A 21 0.093 4.011 -1.605 1.00 63.32 H new ATOM 0 HB3 LEU A 21 1.413 3.309 -2.520 1.00 63.32 H new ATOM 0 HG LEU A 21 1.562 2.828 0.389 1.00 45.30 H new ATOM 0 HD11 LEU A 21 -0.185 1.094 0.361 1.00 32.12 H new ATOM 0 HD12 LEU A 21 -0.862 2.718 0.097 1.00 32.12 H new ATOM 0 HD13 LEU A 21 -0.660 1.604 -1.276 1.00 32.12 H new ATOM 0 HD21 LEU A 21 2.100 0.554 -0.400 1.00 74.25 H new ATOM 0 HD22 LEU A 21 1.713 1.046 -2.066 1.00 74.25 H new ATOM 0 HD23 LEU A 21 3.090 1.787 -1.217 1.00 74.25 H new ATOM 317 N GLY A 22 2.145 6.392 -3.042 1.00 22.11 N ATOM 318 CA GLY A 22 2.740 6.962 -4.238 1.00 32.51 C ATOM 319 C GLY A 22 3.445 8.276 -3.964 1.00 44.20 C ATOM 320 O GLY A 22 3.546 8.707 -2.817 1.00 63.34 O ATOM 0 H GLY A 22 1.275 6.833 -2.744 1.00 22.11 H new ATOM 0 HA2 GLY A 22 3.452 6.252 -4.660 1.00 32.51 H new ATOM 0 HA3 GLY A 22 1.964 7.119 -4.987 1.00 32.51 H new ATOM 324 N ASN A 23 3.936 8.913 -5.023 1.00 71.43 N ATOM 325 CA ASN A 23 4.639 10.184 -4.890 1.00 13.03 C ATOM 326 C ASN A 23 5.806 10.064 -3.917 1.00 44.34 C ATOM 327 O ASN A 23 5.666 10.336 -2.724 1.00 65.44 O ATOM 328 CB ASN A 23 3.677 11.275 -4.416 1.00 13.24 C ATOM 329 CG ASN A 23 4.188 12.671 -4.717 1.00 2.45 C ATOM 330 OD1 ASN A 23 4.238 13.529 -3.838 1.00 61.33 O ATOM 331 ND2 ASN A 23 4.574 12.902 -5.968 1.00 33.22 N ATOM 0 H ASN A 23 3.860 8.570 -5.981 1.00 71.43 H new ATOM 0 HA ASN A 23 5.033 10.455 -5.869 1.00 13.03 H new ATOM 0 HB2 ASN A 23 2.709 11.135 -4.896 1.00 13.24 H new ATOM 0 HB3 ASN A 23 3.518 11.173 -3.342 1.00 13.24 H new ATOM 0 HD21 ASN A 23 4.929 13.821 -6.231 1.00 33.22 H new ATOM 0 HD22 ASN A 23 4.515 12.160 -6.665 1.00 33.22 H new ATOM 338 N LEU A 24 6.960 9.652 -4.433 1.00 31.04 N ATOM 339 CA LEU A 24 8.153 9.495 -3.610 1.00 51.42 C ATOM 340 C LEU A 24 9.389 9.274 -4.478 1.00 33.05 C ATOM 341 O LEU A 24 9.710 8.142 -4.840 1.00 64.32 O ATOM 342 CB LEU A 24 7.979 8.322 -2.643 1.00 42.50 C ATOM 343 CG LEU A 24 7.473 8.676 -1.244 1.00 34.14 C ATOM 344 CD1 LEU A 24 6.190 7.920 -0.934 1.00 31.11 C ATOM 345 CD2 LEU A 24 8.537 8.372 -0.199 1.00 24.50 C ATOM 0 H LEU A 24 7.094 9.421 -5.417 1.00 31.04 H new ATOM 0 HA LEU A 24 8.293 10.412 -3.038 1.00 51.42 H new ATOM 0 HB2 LEU A 24 7.286 7.609 -3.089 1.00 42.50 H new ATOM 0 HB3 LEU A 24 8.938 7.814 -2.543 1.00 42.50 H new ATOM 0 HG LEU A 24 7.258 9.744 -1.216 1.00 34.14 H new ATOM 0 HD11 LEU A 24 5.844 8.184 0.065 1.00 31.11 H new ATOM 0 HD12 LEU A 24 5.426 8.186 -1.664 1.00 31.11 H new ATOM 0 HD13 LEU A 24 6.379 6.848 -0.981 1.00 31.11 H new ATOM 0 HD21 LEU A 24 8.159 8.630 0.790 1.00 24.50 H new ATOM 0 HD22 LEU A 24 8.783 7.310 -0.228 1.00 24.50 H new ATOM 0 HD23 LEU A 24 9.432 8.957 -0.410 1.00 24.50 H new ATOM 357 N SER A 25 10.076 10.361 -4.807 1.00 45.24 N ATOM 358 CA SER A 25 11.276 10.287 -5.633 1.00 32.33 C ATOM 359 C SER A 25 12.448 9.717 -4.841 1.00 33.22 C ATOM 360 O SER A 25 13.287 8.997 -5.383 1.00 35.43 O ATOM 361 CB SER A 25 11.636 11.673 -6.172 1.00 21.23 C ATOM 362 OG SER A 25 10.472 12.441 -6.424 1.00 63.24 O ATOM 0 H SER A 25 9.823 11.305 -4.515 1.00 45.24 H new ATOM 0 HA SER A 25 11.069 9.621 -6.471 1.00 32.33 H new ATOM 0 HB2 SER A 25 12.270 12.193 -5.453 1.00 21.23 H new ATOM 0 HB3 SER A 25 12.214 11.570 -7.091 1.00 21.23 H new ATOM 0 HG SER A 25 10.729 13.323 -6.766 1.00 63.24 H new ATOM 368 N ASP A 26 12.500 10.045 -3.554 1.00 33.43 N ATOM 369 CA ASP A 26 13.567 9.566 -2.685 1.00 4.23 C ATOM 370 C ASP A 26 13.636 8.042 -2.700 1.00 64.50 C ATOM 371 O ASP A 26 14.721 7.460 -2.674 1.00 52.51 O ATOM 372 CB ASP A 26 13.353 10.066 -1.255 1.00 4.51 C ATOM 373 CG ASP A 26 14.564 9.833 -0.374 1.00 24.10 C ATOM 374 OD1 ASP A 26 15.611 10.468 -0.625 1.00 5.14 O ATOM 375 OD2 ASP A 26 14.465 9.021 0.569 1.00 23.32 O ATOM 0 H ASP A 26 11.815 10.641 -3.090 1.00 33.43 H new ATOM 0 HA ASP A 26 14.512 9.958 -3.060 1.00 4.23 H new ATOM 0 HB2 ASP A 26 13.122 11.131 -1.276 1.00 4.51 H new ATOM 0 HB3 ASP A 26 12.489 9.561 -0.822 1.00 4.51 H new ATOM 381 N VAL A 27 12.473 7.402 -2.741 1.00 75.43 N ATOM 382 CA VAL A 27 12.402 5.945 -2.758 1.00 32.52 C ATOM 383 C VAL A 27 13.011 5.382 -4.036 1.00 42.30 C ATOM 384 O VAL A 27 13.450 4.233 -4.072 1.00 60.32 O ATOM 385 CB VAL A 27 10.947 5.453 -2.635 1.00 64.13 C ATOM 386 CG1 VAL A 27 10.891 3.934 -2.687 1.00 45.21 C ATOM 387 CG2 VAL A 27 10.315 5.976 -1.354 1.00 63.24 C ATOM 0 H VAL A 27 11.566 7.869 -2.763 1.00 75.43 H new ATOM 0 HA VAL A 27 12.972 5.589 -1.900 1.00 32.52 H new ATOM 0 HB VAL A 27 10.377 5.842 -3.479 1.00 64.13 H new ATOM 0 HG11 VAL A 27 9.856 3.605 -2.599 1.00 45.21 H new ATOM 0 HG12 VAL A 27 11.302 3.587 -3.635 1.00 45.21 H new ATOM 0 HG13 VAL A 27 11.475 3.520 -1.865 1.00 45.21 H new ATOM 0 HG21 VAL A 27 9.288 5.619 -1.283 1.00 63.24 H new ATOM 0 HG22 VAL A 27 10.883 5.618 -0.495 1.00 63.24 H new ATOM 0 HG23 VAL A 27 10.320 7.066 -1.364 1.00 63.24 H new ATOM 397 N ASN A 28 13.035 6.198 -5.084 1.00 24.24 N ATOM 398 CA ASN A 28 13.591 5.780 -6.366 1.00 43.53 C ATOM 399 C ASN A 28 15.071 5.431 -6.230 1.00 61.31 C ATOM 400 O ASN A 28 15.561 4.503 -6.872 1.00 51.11 O ATOM 401 CB ASN A 28 13.410 6.885 -7.410 1.00 42.12 C ATOM 402 CG ASN A 28 13.656 6.391 -8.822 1.00 61.10 C ATOM 403 OD1 ASN A 28 12.929 5.536 -9.328 1.00 32.00 O ATOM 404 ND2 ASN A 28 14.683 6.931 -9.467 1.00 32.42 N ATOM 0 H ASN A 28 12.676 7.153 -5.071 1.00 24.24 H new ATOM 0 HA ASN A 28 13.054 4.889 -6.693 1.00 43.53 H new ATOM 0 HB2 ASN A 28 12.399 7.286 -7.339 1.00 42.12 H new ATOM 0 HB3 ASN A 28 14.094 7.705 -7.190 1.00 42.12 H new ATOM 0 HD21 ASN A 28 14.896 6.640 -10.421 1.00 32.42 H new ATOM 0 HD22 ASN A 28 15.259 7.637 -9.008 1.00 32.42 H new ATOM 411 N GLN A 29 15.775 6.182 -5.389 1.00 13.41 N ATOM 412 CA GLN A 29 17.198 5.953 -5.168 1.00 30.13 C ATOM 413 C GLN A 29 17.424 4.693 -4.338 1.00 44.30 C ATOM 414 O GLN A 29 18.426 3.997 -4.509 1.00 32.21 O ATOM 415 CB GLN A 29 17.829 7.159 -4.468 1.00 35.15 C ATOM 416 CG GLN A 29 18.600 8.073 -5.407 1.00 45.53 C ATOM 417 CD GLN A 29 19.708 8.830 -4.702 1.00 34.02 C ATOM 418 OE1 GLN A 29 19.519 9.962 -4.263 1.00 63.35 O ATOM 419 NE2 GLN A 29 20.875 8.205 -4.591 1.00 63.02 N ATOM 0 H GLN A 29 15.383 6.954 -4.850 1.00 13.41 H new ATOM 0 HA GLN A 29 17.673 5.817 -6.140 1.00 30.13 H new ATOM 0 HB2 GLN A 29 17.045 7.735 -3.977 1.00 35.15 H new ATOM 0 HB3 GLN A 29 18.501 6.804 -3.687 1.00 35.15 H new ATOM 0 HG2 GLN A 29 19.027 7.480 -6.216 1.00 45.53 H new ATOM 0 HG3 GLN A 29 17.911 8.785 -5.863 1.00 45.53 H new ATOM 0 HE21 GLN A 29 20.988 7.265 -4.970 1.00 63.02 H new ATOM 0 HE22 GLN A 29 21.658 8.665 -4.127 1.00 63.02 H new ATOM 428 N ALA A 30 16.487 4.405 -3.441 1.00 22.11 N ATOM 429 CA ALA A 30 16.584 3.227 -2.587 1.00 73.30 C ATOM 430 C ALA A 30 16.559 1.947 -3.413 1.00 64.25 C ATOM 431 O ALA A 30 17.106 0.921 -3.003 1.00 61.40 O ATOM 432 CB ALA A 30 15.454 3.221 -1.568 1.00 61.14 C ATOM 0 H ALA A 30 15.652 4.971 -3.287 1.00 22.11 H new ATOM 0 HA ALA A 30 17.536 3.269 -2.059 1.00 73.30 H new ATOM 0 HB1 ALA A 30 15.538 2.336 -0.937 1.00 61.14 H new ATOM 0 HB2 ALA A 30 15.518 4.116 -0.949 1.00 61.14 H new ATOM 0 HB3 ALA A 30 14.496 3.206 -2.087 1.00 61.14 H new ATOM 438 N SER A 31 15.923 2.010 -4.578 1.00 63.43 N ATOM 439 CA SER A 31 15.824 0.855 -5.460 1.00 3.03 C ATOM 440 C SER A 31 17.208 0.312 -5.802 1.00 4.34 C ATOM 441 O SER A 31 17.359 -0.856 -6.159 1.00 45.24 O ATOM 442 CB SER A 31 15.078 1.225 -6.742 1.00 1.24 C ATOM 443 OG SER A 31 15.975 1.686 -7.739 1.00 33.33 O ATOM 0 H SER A 31 15.468 2.851 -4.933 1.00 63.43 H new ATOM 0 HA SER A 31 15.267 0.078 -4.937 1.00 3.03 H new ATOM 0 HB2 SER A 31 14.532 0.357 -7.112 1.00 1.24 H new ATOM 0 HB3 SER A 31 14.340 1.998 -6.527 1.00 1.24 H new ATOM 0 HG SER A 31 16.056 2.661 -7.681 1.00 33.33 H new ATOM 449 N ARG A 32 18.217 1.171 -5.692 1.00 43.34 N ATOM 450 CA ARG A 32 19.590 0.781 -5.991 1.00 14.24 C ATOM 451 C ARG A 32 20.118 -0.194 -4.943 1.00 3.32 C ATOM 452 O ARG A 32 21.118 -0.876 -5.165 1.00 45.54 O ATOM 453 CB ARG A 32 20.492 2.015 -6.055 1.00 31.03 C ATOM 454 CG ARG A 32 21.653 1.870 -7.024 1.00 33.43 C ATOM 455 CD ARG A 32 22.802 2.798 -6.659 1.00 34.45 C ATOM 456 NE ARG A 32 23.464 2.390 -5.424 1.00 53.45 N ATOM 457 CZ ARG A 32 24.510 3.023 -4.905 1.00 43.11 C ATOM 458 NH1 ARG A 32 25.010 4.092 -5.512 1.00 53.21 N ATOM 459 NH2 ARG A 32 25.058 2.591 -3.777 1.00 0.31 N ATOM 0 H ARG A 32 18.109 2.142 -5.398 1.00 43.34 H new ATOM 0 HA ARG A 32 19.597 0.284 -6.961 1.00 14.24 H new ATOM 0 HB2 ARG A 32 19.893 2.878 -6.345 1.00 31.03 H new ATOM 0 HB3 ARG A 32 20.884 2.220 -5.059 1.00 31.03 H new ATOM 0 HG2 ARG A 32 22.003 0.838 -7.023 1.00 33.43 H new ATOM 0 HG3 ARG A 32 21.313 2.090 -8.036 1.00 33.43 H new ATOM 0 HD2 ARG A 32 23.528 2.813 -7.472 1.00 34.45 H new ATOM 0 HD3 ARG A 32 22.426 3.815 -6.550 1.00 34.45 H new ATOM 0 HE ARG A 32 23.103 1.573 -4.932 1.00 53.45 H new ATOM 0 HH11 ARG A 32 24.591 4.429 -6.379 1.00 53.21 H new ATOM 0 HH12 ARG A 32 25.813 4.577 -5.112 1.00 53.21 H new ATOM 0 HH21 ARG A 32 24.676 1.771 -3.306 1.00 0.31 H new ATOM 0 HH22 ARG A 32 25.861 3.079 -3.381 1.00 0.31 H new ATOM 473 N ILE A 33 19.439 -0.256 -3.804 1.00 42.21 N ATOM 474 CA ILE A 33 19.840 -1.148 -2.722 1.00 32.43 C ATOM 475 C ILE A 33 18.630 -1.843 -2.106 1.00 61.40 C ATOM 476 O ILE A 33 18.721 -2.432 -1.030 1.00 5.51 O ATOM 477 CB ILE A 33 20.597 -0.388 -1.617 1.00 45.13 C ATOM 478 CG1 ILE A 33 21.542 0.645 -2.236 1.00 72.23 C ATOM 479 CG2 ILE A 33 21.368 -1.361 -0.739 1.00 43.23 C ATOM 480 CD1 ILE A 33 20.919 2.011 -2.403 1.00 22.14 C ATOM 0 H ILE A 33 18.608 0.301 -3.605 1.00 42.21 H new ATOM 0 HA ILE A 33 20.503 -1.895 -3.158 1.00 32.43 H new ATOM 0 HB ILE A 33 19.873 0.137 -0.994 1.00 45.13 H new ATOM 0 HG12 ILE A 33 22.430 0.734 -1.610 1.00 72.23 H new ATOM 0 HG13 ILE A 33 21.873 0.284 -3.210 1.00 72.23 H new ATOM 0 HG21 ILE A 33 21.898 -0.809 0.037 1.00 43.23 H new ATOM 0 HG22 ILE A 33 20.674 -2.062 -0.276 1.00 43.23 H new ATOM 0 HG23 ILE A 33 22.086 -1.910 -1.348 1.00 43.23 H new ATOM 0 HD11 ILE A 33 21.646 2.691 -2.847 1.00 22.14 H new ATOM 0 HD12 ILE A 33 20.048 1.936 -3.054 1.00 22.14 H new ATOM 0 HD13 ILE A 33 20.613 2.393 -1.429 1.00 22.14 H new ATOM 492 N ASN A 34 17.497 -1.770 -2.798 1.00 43.22 N ATOM 493 CA ASN A 34 16.267 -2.394 -2.319 1.00 24.21 C ATOM 494 C ASN A 34 15.864 -3.559 -3.219 1.00 74.24 C ATOM 495 O ASN A 34 15.180 -4.485 -2.780 1.00 4.54 O ATOM 496 CB ASN A 34 15.137 -1.365 -2.263 1.00 73.35 C ATOM 497 CG ASN A 34 14.929 -0.813 -0.865 1.00 34.23 C ATOM 498 OD1 ASN A 34 13.944 -1.135 -0.199 1.00 23.45 O ATOM 499 ND2 ASN A 34 15.857 0.022 -0.413 1.00 24.13 N ATOM 0 H ASN A 34 17.405 -1.286 -3.691 1.00 43.22 H new ATOM 0 HA ASN A 34 16.450 -2.778 -1.315 1.00 24.21 H new ATOM 0 HB2 ASN A 34 15.361 -0.545 -2.945 1.00 73.35 H new ATOM 0 HB3 ASN A 34 14.212 -1.825 -2.611 1.00 73.35 H new ATOM 0 HD21 ASN A 34 15.770 0.424 0.520 1.00 24.13 H new ATOM 0 HD22 ASN A 34 16.657 0.261 -0.999 1.00 24.13 H new ATOM 506 N ARG A 35 16.293 -3.506 -4.475 1.00 73.51 N ATOM 507 CA ARG A 35 15.976 -4.556 -5.435 1.00 21.25 C ATOM 508 C ARG A 35 16.530 -5.900 -4.974 1.00 53.41 C ATOM 509 O ARG A 35 16.004 -6.957 -5.328 1.00 1.34 O ATOM 510 CB ARG A 35 16.541 -4.204 -6.813 1.00 54.23 C ATOM 511 CG ARG A 35 15.621 -4.579 -7.963 1.00 73.10 C ATOM 512 CD ARG A 35 16.142 -4.047 -9.289 1.00 62.03 C ATOM 513 NE ARG A 35 16.582 -5.121 -10.174 1.00 3.54 N ATOM 514 CZ ARG A 35 15.749 -5.912 -10.841 1.00 52.14 C ATOM 515 NH1 ARG A 35 14.438 -5.751 -10.723 1.00 62.43 N ATOM 516 NH2 ARG A 35 16.225 -6.870 -11.627 1.00 5.42 N ATOM 0 H ARG A 35 16.861 -2.747 -4.852 1.00 73.51 H new ATOM 0 HA ARG A 35 14.891 -4.635 -5.504 1.00 21.25 H new ATOM 0 HB2 ARG A 35 16.739 -3.133 -6.852 1.00 54.23 H new ATOM 0 HB3 ARG A 35 17.497 -4.710 -6.944 1.00 54.23 H new ATOM 0 HG2 ARG A 35 15.527 -5.664 -8.016 1.00 73.10 H new ATOM 0 HG3 ARG A 35 14.623 -4.181 -7.777 1.00 73.10 H new ATOM 0 HD2 ARG A 35 15.359 -3.470 -9.781 1.00 62.03 H new ATOM 0 HD3 ARG A 35 16.973 -3.366 -9.105 1.00 62.03 H new ATOM 0 HE ARG A 35 17.584 -5.273 -10.287 1.00 3.54 H new ATOM 0 HH11 ARG A 35 14.067 -5.018 -10.119 1.00 62.43 H new ATOM 0 HH12 ARG A 35 13.801 -6.360 -11.237 1.00 62.43 H new ATOM 0 HH21 ARG A 35 17.232 -7.000 -11.720 1.00 5.42 H new ATOM 0 HH22 ARG A 35 15.583 -7.476 -12.138 1.00 5.42 H new ATOM 530 N LYS A 36 17.594 -5.855 -4.179 1.00 3.44 N ATOM 531 CA LYS A 36 18.222 -7.069 -3.668 1.00 42.14 C ATOM 532 C LYS A 36 17.526 -7.544 -2.398 1.00 13.45 C ATOM 533 O LYS A 36 18.159 -7.712 -1.356 1.00 43.13 O ATOM 534 CB LYS A 36 19.705 -6.822 -3.387 1.00 61.24 C ATOM 535 CG LYS A 36 20.520 -6.523 -4.635 1.00 21.10 C ATOM 536 CD LYS A 36 21.669 -7.504 -4.797 1.00 42.42 C ATOM 537 CE LYS A 36 22.865 -7.107 -3.945 1.00 42.01 C ATOM 538 NZ LYS A 36 24.113 -7.787 -4.389 1.00 2.34 N ATOM 0 H LYS A 36 18.040 -4.990 -3.874 1.00 3.44 H new ATOM 0 HA LYS A 36 18.128 -7.845 -4.427 1.00 42.14 H new ATOM 0 HB2 LYS A 36 19.800 -5.987 -2.692 1.00 61.24 H new ATOM 0 HB3 LYS A 36 20.123 -7.698 -2.892 1.00 61.24 H new ATOM 0 HG2 LYS A 36 19.875 -6.569 -5.512 1.00 21.10 H new ATOM 0 HG3 LYS A 36 20.912 -5.507 -4.580 1.00 21.10 H new ATOM 0 HD2 LYS A 36 21.337 -8.504 -4.517 1.00 42.42 H new ATOM 0 HD3 LYS A 36 21.966 -7.548 -5.845 1.00 42.42 H new ATOM 0 HE2 LYS A 36 23.003 -6.027 -3.994 1.00 42.01 H new ATOM 0 HE3 LYS A 36 22.667 -7.356 -2.903 1.00 42.01 H new ATOM 0 HZ1 LYS A 36 24.905 -7.490 -3.783 1.00 2.34 H new ATOM 0 HZ2 LYS A 36 23.991 -8.817 -4.318 1.00 2.34 H new ATOM 0 HZ3 LYS A 36 24.317 -7.529 -5.376 1.00 2.34 H new ATOM 552 N LYS A 37 16.217 -7.766 -2.492 1.00 24.23 N ATOM 553 CA LYS A 37 15.435 -8.226 -1.352 1.00 15.44 C ATOM 554 C LYS A 37 14.839 -9.604 -1.622 1.00 34.10 C ATOM 555 O LYS A 37 13.651 -9.834 -1.398 1.00 63.12 O ATOM 556 CB LYS A 37 14.319 -7.230 -1.037 1.00 32.30 C ATOM 557 CG LYS A 37 13.838 -7.287 0.403 1.00 21.12 C ATOM 558 CD LYS A 37 14.686 -6.410 1.309 1.00 12.14 C ATOM 559 CE LYS A 37 14.228 -4.960 1.267 1.00 23.40 C ATOM 560 NZ LYS A 37 15.082 -4.083 2.115 1.00 60.51 N ATOM 0 H LYS A 37 15.677 -7.634 -3.347 1.00 24.23 H new ATOM 0 HA LYS A 37 16.101 -8.299 -0.492 1.00 15.44 H new ATOM 0 HB2 LYS A 37 14.672 -6.222 -1.253 1.00 32.30 H new ATOM 0 HB3 LYS A 37 13.476 -7.421 -1.700 1.00 32.30 H new ATOM 0 HG2 LYS A 37 12.798 -6.965 0.453 1.00 21.12 H new ATOM 0 HG3 LYS A 37 13.870 -8.317 0.758 1.00 21.12 H new ATOM 0 HD2 LYS A 37 14.630 -6.781 2.332 1.00 12.14 H new ATOM 0 HD3 LYS A 37 15.731 -6.472 1.004 1.00 12.14 H new ATOM 0 HE2 LYS A 37 14.250 -4.602 0.238 1.00 23.40 H new ATOM 0 HE3 LYS A 37 13.194 -4.896 1.605 1.00 23.40 H new ATOM 0 HZ1 LYS A 37 14.737 -3.103 2.059 1.00 60.51 H new ATOM 0 HZ2 LYS A 37 15.042 -4.409 3.102 1.00 60.51 H new ATOM 0 HZ3 LYS A 37 16.065 -4.124 1.777 1.00 60.51 H new ATOM 574 N LYS A 38 15.673 -10.521 -2.105 1.00 73.10 N ATOM 575 CA LYS A 38 15.230 -11.878 -2.403 1.00 74.31 C ATOM 576 C LYS A 38 15.765 -12.863 -1.370 1.00 15.42 C ATOM 577 O LYS A 38 15.142 -13.892 -1.097 1.00 25.05 O ATOM 578 CB LYS A 38 15.692 -12.289 -3.803 1.00 14.14 C ATOM 579 CG LYS A 38 15.202 -11.363 -4.903 1.00 54.23 C ATOM 580 CD LYS A 38 14.623 -12.142 -6.071 1.00 63.40 C ATOM 581 CE LYS A 38 14.170 -11.215 -7.189 1.00 22.21 C ATOM 582 NZ LYS A 38 15.323 -10.617 -7.914 1.00 45.12 N ATOM 0 H LYS A 38 16.659 -10.348 -2.298 1.00 73.10 H new ATOM 0 HA LYS A 38 14.141 -11.896 -2.366 1.00 74.31 H new ATOM 0 HB2 LYS A 38 16.781 -12.318 -3.823 1.00 14.14 H new ATOM 0 HB3 LYS A 38 15.343 -13.301 -4.009 1.00 14.14 H new ATOM 0 HG2 LYS A 38 14.444 -10.690 -4.502 1.00 54.23 H new ATOM 0 HG3 LYS A 38 16.027 -10.742 -5.252 1.00 54.23 H new ATOM 0 HD2 LYS A 38 15.371 -12.836 -6.453 1.00 63.40 H new ATOM 0 HD3 LYS A 38 13.779 -12.740 -5.728 1.00 63.40 H new ATOM 0 HE2 LYS A 38 13.548 -11.770 -7.891 1.00 22.21 H new ATOM 0 HE3 LYS A 38 13.551 -10.420 -6.773 1.00 22.21 H new ATOM 0 HZ1 LYS A 38 14.976 -10.073 -8.730 1.00 45.12 H new ATOM 0 HZ2 LYS A 38 15.846 -9.985 -7.274 1.00 45.12 H new ATOM 0 HZ3 LYS A 38 15.955 -11.374 -8.246 1.00 45.12 H new ATOM 596 N HIS A 39 16.919 -12.545 -0.795 1.00 64.42 N ATOM 597 CA HIS A 39 17.538 -13.402 0.212 1.00 34.13 C ATOM 598 C HIS A 39 16.756 -13.350 1.522 1.00 12.24 C ATOM 599 O HIS A 39 17.337 -13.188 2.595 1.00 62.24 O ATOM 600 CB HIS A 39 18.986 -12.981 0.452 1.00 2.44 C ATOM 601 CG HIS A 39 19.821 -14.044 1.100 1.00 23.10 C ATOM 602 ND1 HIS A 39 21.160 -13.882 1.382 1.00 14.32 N ATOM 603 CD2 HIS A 39 19.495 -15.288 1.521 1.00 70.15 C ATOM 604 CE1 HIS A 39 21.622 -14.982 1.949 1.00 65.05 C ATOM 605 NE2 HIS A 39 20.632 -15.850 2.046 1.00 10.22 N ATOM 0 H HIS A 39 17.447 -11.699 -1.009 1.00 64.42 H new ATOM 0 HA HIS A 39 17.524 -14.426 -0.160 1.00 34.13 H new ATOM 0 HB2 HIS A 39 19.438 -12.706 -0.501 1.00 2.44 H new ATOM 0 HB3 HIS A 39 18.997 -12.089 1.079 1.00 2.44 H new ATOM 0 HD2 HIS A 39 18.522 -15.752 1.456 1.00 70.15 H new ATOM 0 HE1 HIS A 39 22.638 -15.144 2.278 1.00 65.05 H new ATOM 0 HE2 HIS A 39 20.701 -16.786 2.446 1.00 10.22 H new TER 614 HIS A 39