USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 263 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 61 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.107) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.0053) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 81 GLN : amide:sc= -8.1! C(o=-8.1!,f=-7.1!) USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= -0.894 (180deg=-1.78!) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -0.292 (180deg=-1.56!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 61 -11.249 -0.160 2.952 1.00 0.00 N ATOM 2 CA LYS A 61 -10.796 -1.255 2.052 1.00 0.00 C ATOM 3 C LYS A 61 -9.287 -1.144 1.828 1.00 0.00 C ATOM 4 O LYS A 61 -8.813 -0.224 1.192 1.00 0.00 O ATOM 5 CB LYS A 61 -11.509 -1.127 0.704 1.00 0.00 C ATOM 6 CG LYS A 61 -12.988 -1.474 0.873 1.00 0.00 C ATOM 7 CD LYS A 61 -13.789 -0.864 -0.279 1.00 0.00 C ATOM 8 CE LYS A 61 -14.983 -1.763 -0.607 1.00 0.00 C ATOM 9 NZ LYS A 61 -15.914 -1.796 0.557 1.00 0.00 N ATOM 0 HA LYS A 61 -11.029 -2.217 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.404 -0.112 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.050 -1.793 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.119 -2.556 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.355 -1.094 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.136 0.133 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.154 -0.751 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.501 -1.390 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.640 -2.771 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.807 -2.248 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.481 -2.338 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.104 -0.825 0.877 1.00 0.00 H new ATOM 23 N ILE A 62 -8.530 -2.086 2.322 1.00 0.00 N ATOM 24 CA ILE A 62 -7.056 -2.040 2.109 1.00 0.00 C ATOM 25 C ILE A 62 -6.496 -3.462 2.159 1.00 0.00 C ATOM 26 O ILE A 62 -6.648 -4.165 3.138 1.00 0.00 O ATOM 27 CB ILE A 62 -6.362 -1.196 3.186 1.00 0.00 C ATOM 28 CG1 ILE A 62 -6.968 0.212 3.239 1.00 0.00 C ATOM 29 CG2 ILE A 62 -4.873 -1.090 2.852 1.00 0.00 C ATOM 30 CD1 ILE A 62 -6.217 1.049 4.280 1.00 0.00 C ATOM 0 H ILE A 62 -8.868 -2.883 2.862 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.867 -1.585 1.137 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.500 -1.675 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.903 0.685 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.026 0.155 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.371 -0.492 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.434 -2.087 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.751 -0.615 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.646 2.050 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.305 0.577 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.165 1.116 4.003 1.00 0.00 H new ATOM 42 N THR A 63 -5.843 -3.884 1.114 1.00 0.00 N ATOM 43 CA THR A 63 -5.260 -5.254 1.093 1.00 0.00 C ATOM 44 C THR A 63 -3.758 -5.149 0.842 1.00 0.00 C ATOM 45 O THR A 63 -3.322 -4.666 -0.184 1.00 0.00 O ATOM 46 CB THR A 63 -5.904 -6.072 -0.027 1.00 0.00 C ATOM 47 OG1 THR A 63 -7.309 -5.862 -0.017 1.00 0.00 O ATOM 48 CG2 THR A 63 -5.605 -7.557 0.191 1.00 0.00 C ATOM 0 H THR A 63 -5.687 -3.336 0.268 1.00 0.00 H new ATOM 0 HA THR A 63 -5.445 -5.745 2.048 1.00 0.00 H new ATOM 0 HB THR A 63 -5.498 -5.758 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.723 -6.384 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.064 -8.141 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.527 -7.716 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.012 -7.873 1.152 1.00 0.00 H new ATOM 56 N PHE A 64 -2.962 -5.601 1.770 1.00 0.00 N ATOM 57 CA PHE A 64 -1.489 -5.530 1.586 1.00 0.00 C ATOM 58 C PHE A 64 -0.977 -6.889 1.081 1.00 0.00 C ATOM 59 O PHE A 64 -1.300 -7.913 1.650 1.00 0.00 O ATOM 60 CB PHE A 64 -0.823 -5.240 2.933 1.00 0.00 C ATOM 61 CG PHE A 64 -1.318 -3.930 3.497 1.00 0.00 C ATOM 62 CD1 PHE A 64 -0.919 -2.724 2.914 1.00 0.00 C ATOM 63 CD2 PHE A 64 -2.163 -3.923 4.613 1.00 0.00 C ATOM 64 CE1 PHE A 64 -1.361 -1.507 3.447 1.00 0.00 C ATOM 65 CE2 PHE A 64 -2.608 -2.706 5.145 1.00 0.00 C ATOM 66 CZ PHE A 64 -2.206 -1.499 4.562 1.00 0.00 C ATOM 0 H PHE A 64 -3.270 -6.017 2.649 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.253 -4.743 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.037 -6.048 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.259 -5.204 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.269 -2.731 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.471 -4.855 5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.050 -0.575 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.261 -2.699 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.548 -0.561 4.973 1.00 0.00 H new ATOM 76 N PRO A 65 -0.169 -6.915 0.049 1.00 0.00 N ATOM 77 CA PRO A 65 0.392 -8.191 -0.473 1.00 0.00 C ATOM 78 C PRO A 65 0.932 -9.083 0.650 1.00 0.00 C ATOM 79 O PRO A 65 1.282 -8.616 1.716 1.00 0.00 O ATOM 80 CB PRO A 65 1.547 -7.741 -1.366 1.00 0.00 C ATOM 81 CG PRO A 65 1.204 -6.359 -1.809 1.00 0.00 C ATOM 82 CD PRO A 65 0.288 -5.755 -0.740 1.00 0.00 C ATOM 0 HA PRO A 65 -0.365 -8.781 -0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.491 -7.754 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.663 -8.408 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.106 -5.758 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.704 -6.378 -2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.823 -5.037 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.551 -5.224 -1.189 1.00 0.00 H new ATOM 90 N SER A 66 1.001 -10.360 0.413 1.00 0.00 N ATOM 91 CA SER A 66 1.517 -11.300 1.449 1.00 0.00 C ATOM 92 C SER A 66 2.973 -10.968 1.792 1.00 0.00 C ATOM 93 O SER A 66 3.576 -11.618 2.623 1.00 0.00 O ATOM 94 CB SER A 66 1.439 -12.728 0.909 1.00 0.00 C ATOM 95 OG SER A 66 0.075 -13.112 0.800 1.00 0.00 O ATOM 0 H SER A 66 0.719 -10.800 -0.463 1.00 0.00 H new ATOM 0 HA SER A 66 0.912 -11.205 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.925 -12.789 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.969 -13.410 1.573 1.00 0.00 H new ATOM 0 HG SER A 66 0.019 -14.027 0.452 1.00 0.00 H new ATOM 101 N ASP A 67 3.550 -9.981 1.154 1.00 0.00 N ATOM 102 CA ASP A 67 4.977 -9.642 1.448 1.00 0.00 C ATOM 103 C ASP A 67 5.131 -8.159 1.814 1.00 0.00 C ATOM 104 O ASP A 67 6.232 -7.646 1.846 1.00 0.00 O ATOM 105 CB ASP A 67 5.829 -9.944 0.214 1.00 0.00 C ATOM 106 CG ASP A 67 6.500 -11.308 0.379 1.00 0.00 C ATOM 107 OD1 ASP A 67 5.894 -12.175 0.988 1.00 0.00 O ATOM 108 OD2 ASP A 67 7.610 -11.463 -0.105 1.00 0.00 O ATOM 0 H ASP A 67 3.100 -9.399 0.448 1.00 0.00 H new ATOM 0 HA ASP A 67 5.306 -10.243 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.207 -9.939 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.584 -9.169 0.082 1.00 0.00 H new ATOM 113 N ILE A 68 4.056 -7.463 2.089 1.00 0.00 N ATOM 114 CA ILE A 68 4.179 -6.015 2.449 1.00 0.00 C ATOM 115 C ILE A 68 3.763 -5.780 3.904 1.00 0.00 C ATOM 116 O ILE A 68 2.689 -6.157 4.329 1.00 0.00 O ATOM 117 CB ILE A 68 3.280 -5.171 1.541 1.00 0.00 C ATOM 118 CG1 ILE A 68 3.875 -5.081 0.125 1.00 0.00 C ATOM 119 CG2 ILE A 68 3.135 -3.763 2.125 1.00 0.00 C ATOM 120 CD1 ILE A 68 5.285 -4.475 0.162 1.00 0.00 C ATOM 0 H ILE A 68 3.105 -7.831 2.080 1.00 0.00 H new ATOM 0 HA ILE A 68 5.221 -5.724 2.320 1.00 0.00 H new ATOM 0 HB ILE A 68 2.301 -5.646 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.913 -6.074 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.229 -4.472 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.495 -3.164 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.690 -3.825 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.117 -3.296 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.685 -4.422 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.239 -3.472 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.934 -5.100 0.776 1.00 0.00 H new ATOM 132 N ASP A 69 4.614 -5.145 4.658 1.00 0.00 N ATOM 133 CA ASP A 69 4.292 -4.858 6.085 1.00 0.00 C ATOM 134 C ASP A 69 3.539 -3.516 6.164 1.00 0.00 C ATOM 135 O ASP A 69 3.892 -2.572 5.487 1.00 0.00 O ATOM 136 CB ASP A 69 5.593 -4.774 6.887 1.00 0.00 C ATOM 137 CG ASP A 69 5.276 -4.725 8.383 1.00 0.00 C ATOM 138 OD1 ASP A 69 4.767 -3.709 8.827 1.00 0.00 O ATOM 139 OD2 ASP A 69 5.547 -5.704 9.058 1.00 0.00 O ATOM 0 H ASP A 69 5.525 -4.810 4.346 1.00 0.00 H new ATOM 0 HA ASP A 69 3.668 -5.651 6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.223 -5.636 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.154 -3.886 6.595 1.00 0.00 H new ATOM 144 N PRO A 70 2.502 -3.425 6.972 1.00 0.00 N ATOM 145 CA PRO A 70 1.701 -2.168 7.104 1.00 0.00 C ATOM 146 C PRO A 70 2.485 -1.026 7.760 1.00 0.00 C ATOM 147 O PRO A 70 2.365 0.120 7.374 1.00 0.00 O ATOM 148 CB PRO A 70 0.519 -2.570 7.988 1.00 0.00 C ATOM 149 CG PRO A 70 0.973 -3.775 8.739 1.00 0.00 C ATOM 150 CD PRO A 70 1.976 -4.493 7.840 1.00 0.00 C ATOM 0 HA PRO A 70 1.409 -1.787 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.246 -1.763 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.363 -2.792 7.387 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.434 -3.492 9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.130 -4.424 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.769 -4.962 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.498 -5.281 7.258 1.00 0.00 H new ATOM 158 N GLN A 71 3.284 -1.324 8.747 1.00 0.00 N ATOM 159 CA GLN A 71 4.069 -0.247 9.419 1.00 0.00 C ATOM 160 C GLN A 71 5.174 0.241 8.480 1.00 0.00 C ATOM 161 O GLN A 71 5.551 1.395 8.506 1.00 0.00 O ATOM 162 CB GLN A 71 4.689 -0.785 10.711 1.00 0.00 C ATOM 163 CG GLN A 71 5.079 0.384 11.620 1.00 0.00 C ATOM 164 CD GLN A 71 5.803 -0.149 12.858 1.00 0.00 C ATOM 165 OE1 GLN A 71 5.731 0.439 13.920 1.00 0.00 O ATOM 166 NE2 GLN A 71 6.504 -1.245 12.767 1.00 0.00 N ATOM 0 H GLN A 71 3.428 -2.263 9.117 1.00 0.00 H new ATOM 0 HA GLN A 71 3.406 0.584 9.661 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.980 -1.436 11.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.567 -1.388 10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.723 1.079 11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.189 0.939 11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.565 -1.739 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.991 -1.608 13.586 1.00 0.00 H new ATOM 175 N VAL A 72 5.692 -0.614 7.644 1.00 0.00 N ATOM 176 CA VAL A 72 6.762 -0.171 6.707 1.00 0.00 C ATOM 177 C VAL A 72 6.121 0.451 5.465 1.00 0.00 C ATOM 178 O VAL A 72 6.736 1.229 4.762 1.00 0.00 O ATOM 179 CB VAL A 72 7.624 -1.363 6.287 1.00 0.00 C ATOM 180 CG1 VAL A 72 8.814 -0.862 5.467 1.00 0.00 C ATOM 181 CG2 VAL A 72 8.140 -2.098 7.528 1.00 0.00 C ATOM 0 H VAL A 72 5.423 -1.595 7.568 1.00 0.00 H new ATOM 0 HA VAL A 72 7.391 0.564 7.209 1.00 0.00 H new ATOM 0 HB VAL A 72 7.022 -2.047 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.431 -1.709 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.452 -0.343 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.409 -0.176 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.753 -2.945 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.740 -1.417 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.295 -2.456 8.116 1.00 0.00 H new ATOM 191 N PHE A 73 4.890 0.114 5.179 1.00 0.00 N ATOM 192 CA PHE A 73 4.213 0.682 3.979 1.00 0.00 C ATOM 193 C PHE A 73 3.822 2.137 4.247 1.00 0.00 C ATOM 194 O PHE A 73 4.215 3.039 3.532 1.00 0.00 O ATOM 195 CB PHE A 73 2.955 -0.141 3.691 1.00 0.00 C ATOM 196 CG PHE A 73 2.396 0.228 2.341 1.00 0.00 C ATOM 197 CD1 PHE A 73 3.126 -0.055 1.181 1.00 0.00 C ATOM 198 CD2 PHE A 73 1.143 0.847 2.246 1.00 0.00 C ATOM 199 CE1 PHE A 73 2.605 0.281 -0.071 1.00 0.00 C ATOM 200 CE2 PHE A 73 0.622 1.183 0.992 1.00 0.00 C ATOM 201 CZ PHE A 73 1.355 0.900 -0.167 1.00 0.00 C ATOM 0 H PHE A 73 4.324 -0.533 5.728 1.00 0.00 H new ATOM 0 HA PHE A 73 4.887 0.647 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.192 -1.205 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.208 0.038 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.092 -0.533 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.579 1.065 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.169 0.062 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.344 1.660 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.955 1.160 -1.136 1.00 0.00 H new ATOM 211 N TYR A 74 3.047 2.375 5.269 1.00 0.00 N ATOM 212 CA TYR A 74 2.640 3.775 5.569 1.00 0.00 C ATOM 213 C TYR A 74 3.898 4.616 5.798 1.00 0.00 C ATOM 214 O TYR A 74 3.864 5.829 5.752 1.00 0.00 O ATOM 215 CB TYR A 74 1.755 3.812 6.818 1.00 0.00 C ATOM 216 CG TYR A 74 0.372 3.305 6.477 1.00 0.00 C ATOM 217 CD1 TYR A 74 -0.418 3.985 5.541 1.00 0.00 C ATOM 218 CD2 TYR A 74 -0.121 2.152 7.102 1.00 0.00 C ATOM 219 CE1 TYR A 74 -1.698 3.512 5.231 1.00 0.00 C ATOM 220 CE2 TYR A 74 -1.400 1.680 6.791 1.00 0.00 C ATOM 221 CZ TYR A 74 -2.190 2.359 5.855 1.00 0.00 C ATOM 222 OH TYR A 74 -3.451 1.894 5.548 1.00 0.00 O ATOM 0 H TYR A 74 2.681 1.666 5.905 1.00 0.00 H new ATOM 0 HA TYR A 74 2.072 4.178 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.194 3.199 7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.695 4.830 7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.039 4.874 5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.487 1.628 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.307 4.037 4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.779 0.791 7.273 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.637 1.085 6.068 1.00 0.00 H new ATOM 232 N GLU A 75 5.012 3.977 6.034 1.00 0.00 N ATOM 233 CA GLU A 75 6.277 4.732 6.256 1.00 0.00 C ATOM 234 C GLU A 75 6.877 5.126 4.904 1.00 0.00 C ATOM 235 O GLU A 75 7.861 5.836 4.834 1.00 0.00 O ATOM 236 CB GLU A 75 7.268 3.840 7.009 1.00 0.00 C ATOM 237 CG GLU A 75 8.221 4.710 7.826 1.00 0.00 C ATOM 238 CD GLU A 75 9.497 3.923 8.134 1.00 0.00 C ATOM 239 OE1 GLU A 75 9.419 2.991 8.918 1.00 0.00 O ATOM 240 OE2 GLU A 75 10.529 4.265 7.583 1.00 0.00 O ATOM 0 H GLU A 75 5.100 2.962 6.083 1.00 0.00 H new ATOM 0 HA GLU A 75 6.072 5.630 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.731 3.156 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.831 3.229 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.466 5.617 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.741 5.021 8.754 1.00 0.00 H new ATOM 247 N LEU A 76 6.294 4.669 3.831 1.00 0.00 N ATOM 248 CA LEU A 76 6.832 5.016 2.484 1.00 0.00 C ATOM 249 C LEU A 76 6.196 6.329 2.004 1.00 0.00 C ATOM 250 O LEU A 76 5.098 6.663 2.402 1.00 0.00 O ATOM 251 CB LEU A 76 6.490 3.893 1.502 1.00 0.00 C ATOM 252 CG LEU A 76 7.359 2.669 1.804 1.00 0.00 C ATOM 253 CD1 LEU A 76 6.893 1.487 0.954 1.00 0.00 C ATOM 254 CD2 LEU A 76 8.824 2.980 1.482 1.00 0.00 C ATOM 0 H LEU A 76 5.468 4.070 3.828 1.00 0.00 H new ATOM 0 HA LEU A 76 7.914 5.137 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.435 3.632 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.657 4.227 0.478 1.00 0.00 H new ATOM 0 HG LEU A 76 7.267 2.418 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.513 0.617 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.853 1.259 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.981 1.741 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.438 2.106 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.918 3.237 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.160 3.819 2.091 1.00 0.00 H new ATOM 266 N PRO A 77 6.864 7.067 1.145 1.00 0.00 N ATOM 267 CA PRO A 77 6.316 8.348 0.617 1.00 0.00 C ATOM 268 C PRO A 77 4.920 8.165 0.018 1.00 0.00 C ATOM 269 O PRO A 77 4.536 7.078 -0.367 1.00 0.00 O ATOM 270 CB PRO A 77 7.296 8.772 -0.479 1.00 0.00 C ATOM 271 CG PRO A 77 8.550 7.989 -0.260 1.00 0.00 C ATOM 272 CD PRO A 77 8.200 6.769 0.597 1.00 0.00 C ATOM 0 HA PRO A 77 6.215 9.088 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.882 8.571 -1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.494 9.843 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.976 7.676 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.301 8.602 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.189 5.856 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.930 6.621 1.393 1.00 0.00 H new ATOM 280 N GLU A 78 4.157 9.221 -0.067 1.00 0.00 N ATOM 281 CA GLU A 78 2.787 9.114 -0.644 1.00 0.00 C ATOM 282 C GLU A 78 2.869 8.703 -2.117 1.00 0.00 C ATOM 283 O GLU A 78 2.223 7.767 -2.543 1.00 0.00 O ATOM 284 CB GLU A 78 2.085 10.468 -0.532 1.00 0.00 C ATOM 285 CG GLU A 78 1.819 10.785 0.942 1.00 0.00 C ATOM 286 CD GLU A 78 2.128 12.259 1.215 1.00 0.00 C ATOM 287 OE1 GLU A 78 1.973 13.055 0.304 1.00 0.00 O ATOM 288 OE2 GLU A 78 2.515 12.565 2.330 1.00 0.00 O ATOM 0 H GLU A 78 4.425 10.156 0.240 1.00 0.00 H new ATOM 0 HA GLU A 78 2.224 8.359 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.703 11.248 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.147 10.450 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.779 10.569 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.436 10.150 1.578 1.00 0.00 H new ATOM 295 N ALA A 79 3.649 9.398 -2.900 1.00 0.00 N ATOM 296 CA ALA A 79 3.757 9.045 -4.346 1.00 0.00 C ATOM 297 C ALA A 79 4.064 7.551 -4.489 1.00 0.00 C ATOM 298 O ALA A 79 3.614 6.898 -5.411 1.00 0.00 O ATOM 299 CB ALA A 79 4.878 9.863 -4.989 1.00 0.00 C ATOM 0 H ALA A 79 4.215 10.193 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 79 2.814 9.268 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.957 9.605 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.656 10.926 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.822 9.642 -4.490 1.00 0.00 H new ATOM 305 N VAL A 80 4.808 7.001 -3.570 1.00 0.00 N ATOM 306 CA VAL A 80 5.128 5.547 -3.636 1.00 0.00 C ATOM 307 C VAL A 80 3.920 4.760 -3.124 1.00 0.00 C ATOM 308 O VAL A 80 3.599 3.696 -3.616 1.00 0.00 O ATOM 309 CB VAL A 80 6.349 5.253 -2.762 1.00 0.00 C ATOM 310 CG1 VAL A 80 6.706 3.771 -2.863 1.00 0.00 C ATOM 311 CG2 VAL A 80 7.534 6.090 -3.249 1.00 0.00 C ATOM 0 H VAL A 80 5.209 7.497 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 80 5.351 5.256 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 80 6.121 5.503 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.576 3.563 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.863 3.170 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.934 3.521 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.406 5.883 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.758 5.836 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.284 7.149 -3.181 1.00 0.00 H new ATOM 321 N GLN A 81 3.243 5.294 -2.146 1.00 0.00 N ATOM 322 CA GLN A 81 2.042 4.610 -1.594 1.00 0.00 C ATOM 323 C GLN A 81 0.980 4.490 -2.691 1.00 0.00 C ATOM 324 O GLN A 81 0.421 3.437 -2.921 1.00 0.00 O ATOM 325 CB GLN A 81 1.483 5.446 -0.440 1.00 0.00 C ATOM 326 CG GLN A 81 0.401 4.650 0.294 1.00 0.00 C ATOM 327 CD GLN A 81 0.824 4.412 1.747 1.00 0.00 C ATOM 328 OE1 GLN A 81 0.556 3.367 2.305 1.00 0.00 O ATOM 329 NE2 GLN A 81 1.472 5.343 2.390 1.00 0.00 N ATOM 0 H GLN A 81 3.473 6.183 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 81 2.312 3.616 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.283 5.713 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.067 6.378 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.544 5.192 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.236 3.696 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.698 6.222 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.753 5.193 3.359 1.00 0.00 H new ATOM 338 N LYS A 82 0.695 5.574 -3.359 1.00 0.00 N ATOM 339 CA LYS A 82 -0.333 5.552 -4.437 1.00 0.00 C ATOM 340 C LYS A 82 0.099 4.621 -5.571 1.00 0.00 C ATOM 341 O LYS A 82 -0.660 3.785 -6.019 1.00 0.00 O ATOM 342 CB LYS A 82 -0.502 6.968 -4.992 1.00 0.00 C ATOM 343 CG LYS A 82 -1.523 7.726 -4.141 1.00 0.00 C ATOM 344 CD LYS A 82 -0.999 7.856 -2.711 1.00 0.00 C ATOM 345 CE LYS A 82 -1.934 8.760 -1.905 1.00 0.00 C ATOM 346 NZ LYS A 82 -1.203 9.990 -1.489 1.00 0.00 N ATOM 0 H LYS A 82 1.134 6.481 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.274 5.190 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.455 7.491 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.835 6.927 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.703 8.714 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.477 7.199 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.935 6.873 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.009 8.271 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.804 9.027 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.302 8.229 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.872 10.783 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.752 9.830 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.474 10.217 -2.196 1.00 0.00 H new ATOM 360 N GLU A 83 1.303 4.763 -6.051 1.00 0.00 N ATOM 361 CA GLU A 83 1.760 3.889 -7.169 1.00 0.00 C ATOM 362 C GLU A 83 1.665 2.419 -6.753 1.00 0.00 C ATOM 363 O GLU A 83 1.260 1.573 -7.529 1.00 0.00 O ATOM 364 CB GLU A 83 3.207 4.230 -7.531 1.00 0.00 C ATOM 365 CG GLU A 83 3.265 5.633 -8.136 1.00 0.00 C ATOM 366 CD GLU A 83 3.618 5.536 -9.621 1.00 0.00 C ATOM 367 OE1 GLU A 83 2.872 4.899 -10.347 1.00 0.00 O ATOM 368 OE2 GLU A 83 4.630 6.097 -10.007 1.00 0.00 O ATOM 0 H GLU A 83 1.988 5.443 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 83 1.122 4.056 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.837 4.179 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.597 3.500 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.305 6.134 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.008 6.235 -7.614 1.00 0.00 H new ATOM 375 N LEU A 84 2.021 2.101 -5.540 1.00 0.00 N ATOM 376 CA LEU A 84 1.933 0.678 -5.109 1.00 0.00 C ATOM 377 C LEU A 84 0.466 0.308 -4.896 1.00 0.00 C ATOM 378 O LEU A 84 0.057 -0.806 -5.157 1.00 0.00 O ATOM 379 CB LEU A 84 2.726 0.474 -3.815 1.00 0.00 C ATOM 380 CG LEU A 84 4.219 0.663 -4.103 1.00 0.00 C ATOM 381 CD1 LEU A 84 5.013 0.561 -2.801 1.00 0.00 C ATOM 382 CD2 LEU A 84 4.693 -0.422 -5.074 1.00 0.00 C ATOM 0 H LEU A 84 2.365 2.755 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 84 2.358 0.035 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.397 1.185 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.544 -0.524 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 84 4.378 1.646 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.074 0.696 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.678 1.334 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.853 -0.420 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.755 -0.288 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.530 -1.404 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.131 -0.347 -6.005 1.00 0.00 H new ATOM 394 N LEU A 85 -0.339 1.230 -4.440 1.00 0.00 N ATOM 395 CA LEU A 85 -1.780 0.910 -4.239 1.00 0.00 C ATOM 396 C LEU A 85 -2.431 0.714 -5.611 1.00 0.00 C ATOM 397 O LEU A 85 -3.274 -0.142 -5.792 1.00 0.00 O ATOM 398 CB LEU A 85 -2.476 2.056 -3.495 1.00 0.00 C ATOM 399 CG LEU A 85 -2.103 2.015 -2.009 1.00 0.00 C ATOM 400 CD1 LEU A 85 -2.441 3.358 -1.359 1.00 0.00 C ATOM 401 CD2 LEU A 85 -2.892 0.904 -1.306 1.00 0.00 C ATOM 0 H LEU A 85 -0.064 2.182 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.876 0.001 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.182 3.013 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.557 1.973 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.035 1.819 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.175 3.328 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.880 4.152 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.509 3.552 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.623 0.879 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.960 1.098 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.654 -0.056 -1.764 1.00 0.00 H new ATOM 413 N ALA A 86 -2.039 1.493 -6.586 1.00 0.00 N ATOM 414 CA ALA A 86 -2.629 1.333 -7.946 1.00 0.00 C ATOM 415 C ALA A 86 -2.229 -0.034 -8.502 1.00 0.00 C ATOM 416 O ALA A 86 -2.978 -0.670 -9.218 1.00 0.00 O ATOM 417 CB ALA A 86 -2.108 2.438 -8.870 1.00 0.00 C ATOM 0 H ALA A 86 -1.339 2.230 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.715 1.404 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.542 2.317 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.389 3.411 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.022 2.373 -8.938 1.00 0.00 H new ATOM 423 N GLU A 87 -1.058 -0.502 -8.160 1.00 0.00 N ATOM 424 CA GLU A 87 -0.621 -1.839 -8.652 1.00 0.00 C ATOM 425 C GLU A 87 -1.440 -2.922 -7.941 1.00 0.00 C ATOM 426 O GLU A 87 -1.851 -3.901 -8.540 1.00 0.00 O ATOM 427 CB GLU A 87 0.867 -2.041 -8.356 1.00 0.00 C ATOM 428 CG GLU A 87 1.363 -3.294 -9.083 1.00 0.00 C ATOM 429 CD GLU A 87 2.452 -3.971 -8.250 1.00 0.00 C ATOM 430 OE1 GLU A 87 2.115 -4.557 -7.234 1.00 0.00 O ATOM 431 OE2 GLU A 87 3.605 -3.891 -8.642 1.00 0.00 O ATOM 0 H GLU A 87 -0.388 -0.017 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.779 -1.903 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.436 -1.169 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.025 -2.143 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.535 -3.983 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.755 -3.027 -10.064 1.00 0.00 H new ATOM 438 N TRP A 88 -1.703 -2.740 -6.675 1.00 0.00 N ATOM 439 CA TRP A 88 -2.516 -3.743 -5.933 1.00 0.00 C ATOM 440 C TRP A 88 -3.935 -3.746 -6.503 1.00 0.00 C ATOM 441 O TRP A 88 -4.601 -4.760 -6.545 1.00 0.00 O ATOM 442 CB TRP A 88 -2.579 -3.359 -4.454 1.00 0.00 C ATOM 443 CG TRP A 88 -1.199 -3.231 -3.893 1.00 0.00 C ATOM 444 CD1 TRP A 88 -0.052 -3.565 -4.535 1.00 0.00 C ATOM 445 CD2 TRP A 88 -0.803 -2.735 -2.583 1.00 0.00 C ATOM 446 NE1 TRP A 88 1.018 -3.304 -3.695 1.00 0.00 N ATOM 447 CE2 TRP A 88 0.605 -2.791 -2.485 1.00 0.00 C ATOM 448 CE3 TRP A 88 -1.526 -2.244 -1.481 1.00 0.00 C ATOM 449 CZ2 TRP A 88 1.275 -2.379 -1.333 1.00 0.00 C ATOM 450 CZ3 TRP A 88 -0.855 -1.828 -0.319 1.00 0.00 C ATOM 451 CH2 TRP A 88 0.543 -1.894 -0.247 1.00 0.00 C ATOM 0 H TRP A 88 -1.390 -1.941 -6.124 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.064 -4.729 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.115 -2.417 -4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.136 -4.113 -3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.016 -3.968 -5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.993 -3.471 -3.942 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.603 -2.186 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 2.352 -2.435 -1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.419 -1.455 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.054 -1.570 0.648 1.00 0.00 H new ATOM 462 N LYS A 89 -4.399 -2.605 -6.932 1.00 0.00 N ATOM 463 CA LYS A 89 -5.775 -2.506 -7.494 1.00 0.00 C ATOM 464 C LYS A 89 -5.770 -2.905 -8.972 1.00 0.00 C ATOM 465 O LYS A 89 -6.804 -3.171 -9.551 1.00 0.00 O ATOM 466 CB LYS A 89 -6.258 -1.060 -7.357 1.00 0.00 C ATOM 467 CG LYS A 89 -7.536 -0.858 -8.172 1.00 0.00 C ATOM 468 CD LYS A 89 -8.147 0.501 -7.827 1.00 0.00 C ATOM 469 CE LYS A 89 -8.810 1.093 -9.072 1.00 0.00 C ATOM 470 NZ LYS A 89 -9.451 0.002 -9.857 1.00 0.00 N ATOM 0 H LYS A 89 -3.878 -1.728 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.440 -3.178 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.445 -0.828 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.484 -0.375 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.313 -0.909 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.248 -1.655 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.881 0.390 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.375 1.176 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.555 1.834 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.068 1.608 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.236 0.392 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.750 -0.424 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.815 -0.725 -9.208 1.00 0.00 H new ATOM 484 N ARG A 90 -4.622 -2.952 -9.593 1.00 0.00 N ATOM 485 CA ARG A 90 -4.593 -3.337 -11.033 1.00 0.00 C ATOM 486 C ARG A 90 -4.751 -4.853 -11.149 1.00 0.00 C ATOM 487 O ARG A 90 -5.538 -5.342 -11.937 1.00 0.00 O ATOM 488 CB ARG A 90 -3.274 -2.906 -11.676 1.00 0.00 C ATOM 489 CG ARG A 90 -3.490 -1.652 -12.525 1.00 0.00 C ATOM 490 CD ARG A 90 -2.215 -1.352 -13.317 1.00 0.00 C ATOM 491 NE ARG A 90 -1.917 0.106 -13.244 1.00 0.00 N ATOM 492 CZ ARG A 90 -2.678 0.959 -13.874 1.00 0.00 C ATOM 493 NH1 ARG A 90 -3.701 0.534 -14.565 1.00 0.00 N ATOM 494 NH2 ARG A 90 -2.414 2.234 -13.815 1.00 0.00 N ATOM 0 H ARG A 90 -3.716 -2.744 -9.173 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.411 -2.838 -11.552 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.531 -2.708 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.882 -3.712 -12.296 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.328 -1.800 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.743 -0.806 -11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.380 -1.925 -12.914 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.339 -1.657 -14.356 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.119 0.437 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.905 -0.464 -14.612 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.296 1.200 -15.057 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.613 2.565 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.008 2.901 -14.307 1.00 0.00 H new ATOM 508 N THR A 91 -4.017 -5.605 -10.373 1.00 0.00 N ATOM 509 CA THR A 91 -4.141 -7.091 -10.447 1.00 0.00 C ATOM 510 C THR A 91 -4.946 -7.603 -9.250 1.00 0.00 C ATOM 511 O THR A 91 -5.770 -8.485 -9.382 1.00 0.00 O ATOM 512 CB THR A 91 -2.747 -7.727 -10.441 1.00 0.00 C ATOM 513 OG1 THR A 91 -2.719 -8.790 -9.501 1.00 0.00 O ATOM 514 CG2 THR A 91 -1.703 -6.676 -10.060 1.00 0.00 C ATOM 0 H THR A 91 -3.340 -5.257 -9.694 1.00 0.00 H new ATOM 0 HA THR A 91 -4.656 -7.362 -11.369 1.00 0.00 H new ATOM 0 HB THR A 91 -2.520 -8.114 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.829 -9.199 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.713 -7.131 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.725 -5.862 -10.784 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.926 -6.285 -9.067 1.00 0.00 H new ATOM 522 N GLY A 92 -4.719 -7.061 -8.084 1.00 0.00 N ATOM 523 CA GLY A 92 -5.480 -7.527 -6.888 1.00 0.00 C ATOM 524 C GLY A 92 -4.587 -8.419 -6.026 1.00 0.00 C ATOM 525 O GLY A 92 -5.040 -9.049 -5.091 1.00 0.00 O ATOM 0 H GLY A 92 -4.042 -6.318 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.824 -6.671 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.367 -8.078 -7.201 1.00 0.00 H new TER 529 GLY A 92