USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.5 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.3) USER MOD Single : A 74 TYR OH : rot -130:sc= -0.446 USER MOD Single : A 81 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.21) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.0768 (180deg=-0.572) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.0086 (180deg=-0.193) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 61 -11.659 -0.795 2.741 1.00 0.00 N ATOM 2 CA LYS A 61 -10.957 -2.085 2.994 1.00 0.00 C ATOM 3 C LYS A 61 -9.614 -2.079 2.261 1.00 0.00 C ATOM 4 O LYS A 61 -9.563 -2.013 1.049 1.00 0.00 O ATOM 5 CB LYS A 61 -11.817 -3.241 2.474 1.00 0.00 C ATOM 6 CG LYS A 61 -12.828 -3.647 3.548 1.00 0.00 C ATOM 7 CD LYS A 61 -12.244 -4.777 4.397 1.00 0.00 C ATOM 8 CE LYS A 61 -13.160 -5.046 5.592 1.00 0.00 C ATOM 9 NZ LYS A 61 -13.534 -6.488 5.620 1.00 0.00 N ATOM 0 HA LYS A 61 -10.790 -2.209 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.337 -2.941 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.185 -4.090 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.068 -2.791 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.759 -3.971 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.139 -5.680 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.247 -4.507 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.655 -4.773 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.056 -4.429 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.157 -6.669 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.032 -6.735 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.675 -7.068 5.706 1.00 0.00 H new ATOM 23 N ILE A 62 -8.525 -2.142 2.980 1.00 0.00 N ATOM 24 CA ILE A 62 -7.192 -2.133 2.312 1.00 0.00 C ATOM 25 C ILE A 62 -6.624 -3.554 2.278 1.00 0.00 C ATOM 26 O ILE A 62 -6.808 -4.331 3.193 1.00 0.00 O ATOM 27 CB ILE A 62 -6.239 -1.223 3.088 1.00 0.00 C ATOM 28 CG1 ILE A 62 -6.707 0.229 2.968 1.00 0.00 C ATOM 29 CG2 ILE A 62 -4.828 -1.353 2.511 1.00 0.00 C ATOM 30 CD1 ILE A 62 -5.898 1.106 3.926 1.00 0.00 C ATOM 0 H ILE A 62 -8.501 -2.199 3.998 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.301 -1.762 1.293 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.232 -1.516 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.582 0.579 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.769 0.301 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.148 -0.705 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.494 -2.387 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.836 -1.060 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.231 2.140 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.046 0.760 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.840 1.043 3.671 1.00 0.00 H new ATOM 42 N THR A 63 -5.930 -3.892 1.226 1.00 0.00 N ATOM 43 CA THR A 63 -5.337 -5.255 1.116 1.00 0.00 C ATOM 44 C THR A 63 -3.836 -5.132 0.860 1.00 0.00 C ATOM 45 O THR A 63 -3.409 -4.619 -0.155 1.00 0.00 O ATOM 46 CB THR A 63 -5.991 -6.005 -0.046 1.00 0.00 C ATOM 47 OG1 THR A 63 -5.931 -5.204 -1.218 1.00 0.00 O ATOM 48 CG2 THR A 63 -7.450 -6.306 0.294 1.00 0.00 C ATOM 0 H THR A 63 -5.747 -3.278 0.432 1.00 0.00 H new ATOM 0 HA THR A 63 -5.508 -5.803 2.043 1.00 0.00 H new ATOM 0 HB THR A 63 -5.461 -6.942 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.062 -4.752 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.914 -6.840 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.495 -6.921 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.983 -5.371 0.467 1.00 0.00 H new ATOM 56 N PHE A 64 -3.031 -5.596 1.776 1.00 0.00 N ATOM 57 CA PHE A 64 -1.559 -5.503 1.589 1.00 0.00 C ATOM 58 C PHE A 64 -1.017 -6.853 1.092 1.00 0.00 C ATOM 59 O PHE A 64 -1.338 -7.885 1.648 1.00 0.00 O ATOM 60 CB PHE A 64 -0.900 -5.180 2.933 1.00 0.00 C ATOM 61 CG PHE A 64 -1.461 -3.893 3.484 1.00 0.00 C ATOM 62 CD1 PHE A 64 -1.005 -2.666 2.992 1.00 0.00 C ATOM 63 CD2 PHE A 64 -2.431 -3.927 4.493 1.00 0.00 C ATOM 64 CE1 PHE A 64 -1.518 -1.470 3.508 1.00 0.00 C ATOM 65 CE2 PHE A 64 -2.947 -2.732 5.008 1.00 0.00 C ATOM 66 CZ PHE A 64 -2.490 -1.504 4.516 1.00 0.00 C ATOM 0 H PHE A 64 -3.331 -6.036 2.646 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.337 -4.722 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.073 -5.993 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.179 -5.092 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.257 -2.641 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.781 -4.875 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.165 -0.522 3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.697 -2.758 5.784 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.887 -0.582 4.914 1.00 0.00 H new ATOM 76 N PRO A 65 -0.181 -6.861 0.077 1.00 0.00 N ATOM 77 CA PRO A 65 0.413 -8.124 -0.445 1.00 0.00 C ATOM 78 C PRO A 65 0.939 -9.024 0.678 1.00 0.00 C ATOM 79 O PRO A 65 1.278 -8.568 1.752 1.00 0.00 O ATOM 80 CB PRO A 65 1.584 -7.642 -1.298 1.00 0.00 C ATOM 81 CG PRO A 65 1.216 -6.271 -1.750 1.00 0.00 C ATOM 82 CD PRO A 65 0.275 -5.688 -0.694 1.00 0.00 C ATOM 0 HA PRO A 65 -0.322 -8.719 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.509 -7.629 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.748 -8.304 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.105 -5.650 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.729 -6.304 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.789 -4.969 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.563 -5.164 -1.154 1.00 0.00 H new ATOM 90 N SER A 66 1.014 -10.299 0.428 1.00 0.00 N ATOM 91 CA SER A 66 1.521 -11.248 1.459 1.00 0.00 C ATOM 92 C SER A 66 2.980 -10.929 1.800 1.00 0.00 C ATOM 93 O SER A 66 3.575 -11.576 2.640 1.00 0.00 O ATOM 94 CB SER A 66 1.431 -12.673 0.913 1.00 0.00 C ATOM 95 OG SER A 66 0.122 -13.179 1.137 1.00 0.00 O ATOM 0 H SER A 66 0.743 -10.730 -0.456 1.00 0.00 H new ATOM 0 HA SER A 66 0.917 -11.153 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.659 -12.682 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.168 -13.310 1.402 1.00 0.00 H new ATOM 0 HG SER A 66 0.060 -14.092 0.787 1.00 0.00 H new ATOM 101 N ASP A 67 3.568 -9.953 1.155 1.00 0.00 N ATOM 102 CA ASP A 67 4.998 -9.624 1.448 1.00 0.00 C ATOM 103 C ASP A 67 5.153 -8.149 1.838 1.00 0.00 C ATOM 104 O ASP A 67 6.255 -7.640 1.904 1.00 0.00 O ATOM 105 CB ASP A 67 5.842 -9.903 0.204 1.00 0.00 C ATOM 106 CG ASP A 67 5.291 -9.101 -0.976 1.00 0.00 C ATOM 107 OD1 ASP A 67 5.444 -7.891 -0.968 1.00 0.00 O ATOM 108 OD2 ASP A 67 4.723 -9.711 -1.868 1.00 0.00 O ATOM 0 H ASP A 67 3.124 -9.373 0.443 1.00 0.00 H new ATOM 0 HA ASP A 67 5.332 -10.242 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.881 -9.632 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.827 -10.968 -0.028 1.00 0.00 H new ATOM 113 N ILE A 68 4.075 -7.452 2.095 1.00 0.00 N ATOM 114 CA ILE A 68 4.191 -6.010 2.478 1.00 0.00 C ATOM 115 C ILE A 68 3.720 -5.793 3.919 1.00 0.00 C ATOM 116 O ILE A 68 2.629 -6.172 4.299 1.00 0.00 O ATOM 117 CB ILE A 68 3.332 -5.156 1.542 1.00 0.00 C ATOM 118 CG1 ILE A 68 3.993 -5.050 0.155 1.00 0.00 C ATOM 119 CG2 ILE A 68 3.156 -3.759 2.138 1.00 0.00 C ATOM 120 CD1 ILE A 68 5.396 -4.434 0.262 1.00 0.00 C ATOM 0 H ILE A 68 3.123 -7.816 2.057 1.00 0.00 H new ATOM 0 HA ILE A 68 5.238 -5.718 2.397 1.00 0.00 H new ATOM 0 HB ILE A 68 2.357 -5.629 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.059 -6.040 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.373 -4.440 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.544 -3.153 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.666 -3.837 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.132 -3.290 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.842 -4.370 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.323 -3.435 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.020 -5.059 0.900 1.00 0.00 H new ATOM 132 N ASP A 69 4.544 -5.165 4.711 1.00 0.00 N ATOM 133 CA ASP A 69 4.165 -4.890 6.129 1.00 0.00 C ATOM 134 C ASP A 69 3.449 -3.528 6.189 1.00 0.00 C ATOM 135 O ASP A 69 3.869 -2.584 5.550 1.00 0.00 O ATOM 136 CB ASP A 69 5.425 -4.857 6.999 1.00 0.00 C ATOM 137 CG ASP A 69 5.031 -4.908 8.476 1.00 0.00 C ATOM 138 OD1 ASP A 69 4.820 -3.852 9.050 1.00 0.00 O ATOM 139 OD2 ASP A 69 4.946 -6.003 9.010 1.00 0.00 O ATOM 0 H ASP A 69 5.467 -4.828 4.438 1.00 0.00 H new ATOM 0 HA ASP A 69 3.503 -5.672 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.070 -5.701 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.996 -3.951 6.796 1.00 0.00 H new ATOM 144 N PRO A 70 2.370 -3.417 6.935 1.00 0.00 N ATOM 145 CA PRO A 70 1.603 -2.137 7.039 1.00 0.00 C ATOM 146 C PRO A 70 2.412 -1.008 7.688 1.00 0.00 C ATOM 147 O PRO A 70 2.308 0.138 7.302 1.00 0.00 O ATOM 148 CB PRO A 70 0.387 -2.489 7.901 1.00 0.00 C ATOM 149 CG PRO A 70 0.745 -3.745 8.622 1.00 0.00 C ATOM 150 CD PRO A 70 1.765 -4.480 7.754 1.00 0.00 C ATOM 0 HA PRO A 70 1.337 -1.761 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.161 -1.687 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.500 -2.632 7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.163 -3.521 9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.139 -4.362 8.785 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.513 -4.989 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.288 -5.239 7.134 1.00 0.00 H new ATOM 158 N GLN A 71 3.224 -1.320 8.660 1.00 0.00 N ATOM 159 CA GLN A 71 4.041 -0.263 9.317 1.00 0.00 C ATOM 160 C GLN A 71 5.202 0.131 8.401 1.00 0.00 C ATOM 161 O GLN A 71 5.642 1.263 8.406 1.00 0.00 O ATOM 162 CB GLN A 71 4.584 -0.797 10.642 1.00 0.00 C ATOM 163 CG GLN A 71 5.186 0.347 11.455 1.00 0.00 C ATOM 164 CD GLN A 71 6.676 0.083 11.682 1.00 0.00 C ATOM 165 OE1 GLN A 71 7.397 -0.233 10.756 1.00 0.00 O ATOM 166 NE2 GLN A 71 7.172 0.203 12.883 1.00 0.00 N ATOM 0 H GLN A 71 3.357 -2.262 9.028 1.00 0.00 H new ATOM 0 HA GLN A 71 3.423 0.614 9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.784 -1.275 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.340 -1.559 10.455 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.049 1.292 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.672 0.437 12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.567 0.468 13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.164 0.032 13.044 1.00 0.00 H new ATOM 175 N VAL A 72 5.694 -0.775 7.606 1.00 0.00 N ATOM 176 CA VAL A 72 6.813 -0.418 6.690 1.00 0.00 C ATOM 177 C VAL A 72 6.239 0.240 5.438 1.00 0.00 C ATOM 178 O VAL A 72 6.919 0.954 4.728 1.00 0.00 O ATOM 179 CB VAL A 72 7.582 -1.674 6.286 1.00 0.00 C ATOM 180 CG1 VAL A 72 8.839 -1.269 5.516 1.00 0.00 C ATOM 181 CG2 VAL A 72 7.980 -2.456 7.540 1.00 0.00 C ATOM 0 H VAL A 72 5.373 -1.742 7.550 1.00 0.00 H new ATOM 0 HA VAL A 72 7.490 0.267 7.200 1.00 0.00 H new ATOM 0 HB VAL A 72 6.952 -2.301 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.391 -2.163 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.555 -0.712 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.468 -0.644 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.529 -3.352 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.611 -1.832 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.084 -2.741 8.091 1.00 0.00 H new ATOM 191 N PHE A 73 4.989 -0.007 5.157 1.00 0.00 N ATOM 192 CA PHE A 73 4.353 0.583 3.949 1.00 0.00 C ATOM 193 C PHE A 73 3.940 2.032 4.224 1.00 0.00 C ATOM 194 O PHE A 73 4.349 2.943 3.531 1.00 0.00 O ATOM 195 CB PHE A 73 3.113 -0.246 3.610 1.00 0.00 C ATOM 196 CG PHE A 73 2.500 0.247 2.325 1.00 0.00 C ATOM 197 CD1 PHE A 73 3.182 0.079 1.117 1.00 0.00 C ATOM 198 CD2 PHE A 73 1.244 0.863 2.344 1.00 0.00 C ATOM 199 CE1 PHE A 73 2.609 0.531 -0.075 1.00 0.00 C ATOM 200 CE2 PHE A 73 0.671 1.316 1.151 1.00 0.00 C ATOM 201 CZ PHE A 73 1.353 1.149 -0.059 1.00 0.00 C ATOM 0 H PHE A 73 4.377 -0.598 5.719 1.00 0.00 H new ATOM 0 HA PHE A 73 5.058 0.575 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.383 -1.298 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.386 -0.177 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.150 -0.399 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.717 0.989 3.279 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.136 0.403 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.297 1.794 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.911 1.497 -0.981 1.00 0.00 H new ATOM 211 N TYR A 74 3.127 2.256 5.219 1.00 0.00 N ATOM 212 CA TYR A 74 2.692 3.652 5.513 1.00 0.00 C ATOM 213 C TYR A 74 3.924 4.527 5.761 1.00 0.00 C ATOM 214 O TYR A 74 3.854 5.739 5.703 1.00 0.00 O ATOM 215 CB TYR A 74 1.779 3.685 6.741 1.00 0.00 C ATOM 216 CG TYR A 74 0.417 3.132 6.391 1.00 0.00 C ATOM 217 CD1 TYR A 74 -0.370 3.759 5.415 1.00 0.00 C ATOM 218 CD2 TYR A 74 -0.061 1.995 7.051 1.00 0.00 C ATOM 219 CE1 TYR A 74 -1.635 3.244 5.103 1.00 0.00 C ATOM 220 CE2 TYR A 74 -1.324 1.481 6.737 1.00 0.00 C ATOM 221 CZ TYR A 74 -2.110 2.105 5.763 1.00 0.00 C ATOM 222 OH TYR A 74 -3.356 1.600 5.456 1.00 0.00 O ATOM 0 H TYR A 74 2.747 1.539 5.838 1.00 0.00 H new ATOM 0 HA TYR A 74 2.135 4.034 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.221 3.101 7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.682 4.708 7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.002 4.637 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.545 1.513 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.244 3.726 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.692 0.603 7.247 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.863 1.457 6.282 1.00 0.00 H new ATOM 232 N GLU A 75 5.053 3.930 6.027 1.00 0.00 N ATOM 233 CA GLU A 75 6.285 4.735 6.262 1.00 0.00 C ATOM 234 C GLU A 75 6.853 5.190 4.916 1.00 0.00 C ATOM 235 O GLU A 75 7.847 5.887 4.856 1.00 0.00 O ATOM 236 CB GLU A 75 7.325 3.874 6.981 1.00 0.00 C ATOM 237 CG GLU A 75 7.414 4.295 8.450 1.00 0.00 C ATOM 238 CD GLU A 75 8.182 5.615 8.558 1.00 0.00 C ATOM 239 OE1 GLU A 75 9.395 5.564 8.667 1.00 0.00 O ATOM 240 OE2 GLU A 75 7.541 6.653 8.531 1.00 0.00 O ATOM 0 H GLU A 75 5.176 2.919 6.092 1.00 0.00 H new ATOM 0 HA GLU A 75 6.043 5.604 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.052 2.821 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.297 3.984 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.414 4.409 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.916 3.521 9.031 1.00 0.00 H new ATOM 247 N LEU A 76 6.236 4.795 3.837 1.00 0.00 N ATOM 248 CA LEU A 76 6.748 5.197 2.497 1.00 0.00 C ATOM 249 C LEU A 76 6.053 6.487 2.040 1.00 0.00 C ATOM 250 O LEU A 76 4.919 6.740 2.398 1.00 0.00 O ATOM 251 CB LEU A 76 6.452 4.082 1.492 1.00 0.00 C ATOM 252 CG LEU A 76 7.157 2.798 1.930 1.00 0.00 C ATOM 253 CD1 LEU A 76 6.791 1.664 0.971 1.00 0.00 C ATOM 254 CD2 LEU A 76 8.671 3.015 1.907 1.00 0.00 C ATOM 0 H LEU A 76 5.400 4.211 3.825 1.00 0.00 H new ATOM 0 HA LEU A 76 7.823 5.369 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.377 3.914 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.791 4.375 0.498 1.00 0.00 H new ATOM 0 HG LEU A 76 6.842 2.537 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.293 0.748 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.712 1.509 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.107 1.926 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.174 2.100 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.986 3.276 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.933 3.824 2.589 1.00 0.00 H new ATOM 266 N PRO A 77 6.714 7.294 1.240 1.00 0.00 N ATOM 267 CA PRO A 77 6.119 8.557 0.729 1.00 0.00 C ATOM 268 C PRO A 77 4.771 8.306 0.044 1.00 0.00 C ATOM 269 O PRO A 77 4.476 7.207 -0.382 1.00 0.00 O ATOM 270 CB PRO A 77 7.127 9.098 -0.289 1.00 0.00 C ATOM 271 CG PRO A 77 8.378 8.290 -0.152 1.00 0.00 C ATOM 272 CD PRO A 77 8.089 7.091 0.755 1.00 0.00 C ATOM 0 HA PRO A 77 5.929 9.257 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.729 9.021 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.329 10.153 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.718 7.951 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.177 8.899 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.179 6.153 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.796 7.045 1.584 1.00 0.00 H new ATOM 280 N GLU A 78 3.952 9.315 -0.067 1.00 0.00 N ATOM 281 CA GLU A 78 2.626 9.135 -0.723 1.00 0.00 C ATOM 282 C GLU A 78 2.807 8.718 -2.187 1.00 0.00 C ATOM 283 O GLU A 78 2.141 7.823 -2.667 1.00 0.00 O ATOM 284 CB GLU A 78 1.852 10.453 -0.670 1.00 0.00 C ATOM 285 CG GLU A 78 2.600 11.512 -1.483 1.00 0.00 C ATOM 286 CD GLU A 78 2.133 12.907 -1.064 1.00 0.00 C ATOM 287 OE1 GLU A 78 1.730 13.059 0.078 1.00 0.00 O ATOM 288 OE2 GLU A 78 2.186 13.801 -1.891 1.00 0.00 O ATOM 0 H GLU A 78 4.144 10.259 0.269 1.00 0.00 H new ATOM 0 HA GLU A 78 2.076 8.355 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.847 10.314 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.742 10.782 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.674 11.415 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.420 11.362 -2.547 1.00 0.00 H new ATOM 295 N ALA A 79 3.683 9.365 -2.908 1.00 0.00 N ATOM 296 CA ALA A 79 3.870 9.001 -4.344 1.00 0.00 C ATOM 297 C ALA A 79 4.161 7.503 -4.476 1.00 0.00 C ATOM 298 O ALA A 79 3.718 6.856 -5.405 1.00 0.00 O ATOM 299 CB ALA A 79 5.029 9.805 -4.934 1.00 0.00 C ATOM 0 H ALA A 79 4.274 10.124 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 79 2.955 9.233 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.162 9.536 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.809 10.870 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.943 9.583 -4.384 1.00 0.00 H new ATOM 305 N VAL A 80 4.881 6.937 -3.548 1.00 0.00 N ATOM 306 CA VAL A 80 5.176 5.476 -3.621 1.00 0.00 C ATOM 307 C VAL A 80 3.950 4.704 -3.138 1.00 0.00 C ATOM 308 O VAL A 80 3.626 3.644 -3.636 1.00 0.00 O ATOM 309 CB VAL A 80 6.372 5.148 -2.728 1.00 0.00 C ATOM 310 CG1 VAL A 80 6.914 3.767 -3.097 1.00 0.00 C ATOM 311 CG2 VAL A 80 7.468 6.193 -2.939 1.00 0.00 C ATOM 0 H VAL A 80 5.278 7.421 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 80 5.412 5.196 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 80 6.059 5.154 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.767 3.530 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.134 3.019 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.227 3.766 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.321 5.959 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.782 6.186 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.084 7.180 -2.683 1.00 0.00 H new ATOM 321 N GLN A 81 3.262 5.245 -2.173 1.00 0.00 N ATOM 322 CA GLN A 81 2.044 4.574 -1.645 1.00 0.00 C ATOM 323 C GLN A 81 1.000 4.474 -2.761 1.00 0.00 C ATOM 324 O GLN A 81 0.435 3.428 -3.008 1.00 0.00 O ATOM 325 CB GLN A 81 1.479 5.412 -0.495 1.00 0.00 C ATOM 326 CG GLN A 81 0.339 4.655 0.192 1.00 0.00 C ATOM 327 CD GLN A 81 0.382 4.937 1.695 1.00 0.00 C ATOM 328 OE1 GLN A 81 -0.622 5.272 2.292 1.00 0.00 O ATOM 329 NE2 GLN A 81 1.511 4.810 2.336 1.00 0.00 N ATOM 0 H GLN A 81 3.494 6.131 -1.724 1.00 0.00 H new ATOM 0 HA GLN A 81 2.292 3.574 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.266 5.633 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.116 6.367 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.621 4.966 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.434 3.585 0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.353 4.529 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.551 4.992 3.339 1.00 0.00 H new ATOM 338 N LYS A 82 0.737 5.567 -3.424 1.00 0.00 N ATOM 339 CA LYS A 82 -0.276 5.571 -4.518 1.00 0.00 C ATOM 340 C LYS A 82 0.156 4.635 -5.650 1.00 0.00 C ATOM 341 O LYS A 82 -0.614 3.819 -6.115 1.00 0.00 O ATOM 342 CB LYS A 82 -0.406 6.995 -5.075 1.00 0.00 C ATOM 343 CG LYS A 82 -1.474 7.773 -4.294 1.00 0.00 C ATOM 344 CD LYS A 82 -0.968 8.071 -2.880 1.00 0.00 C ATOM 345 CE LYS A 82 -2.103 8.665 -2.045 1.00 0.00 C ATOM 346 NZ LYS A 82 -3.150 7.628 -1.824 1.00 0.00 N ATOM 0 H LYS A 82 1.186 6.467 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.230 5.229 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.553 7.509 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.672 6.957 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.709 8.704 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.396 7.194 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.600 7.157 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.130 8.767 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.719 9.019 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.532 9.527 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.681 7.850 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.801 7.614 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.700 6.696 -1.725 1.00 0.00 H new ATOM 360 N GLU A 83 1.370 4.758 -6.112 1.00 0.00 N ATOM 361 CA GLU A 83 1.828 3.885 -7.229 1.00 0.00 C ATOM 362 C GLU A 83 1.729 2.413 -6.821 1.00 0.00 C ATOM 363 O GLU A 83 1.356 1.565 -7.613 1.00 0.00 O ATOM 364 CB GLU A 83 3.278 4.219 -7.585 1.00 0.00 C ATOM 365 CG GLU A 83 3.367 5.670 -8.059 1.00 0.00 C ATOM 366 CD GLU A 83 4.825 6.132 -8.010 1.00 0.00 C ATOM 367 OE1 GLU A 83 5.506 5.779 -7.061 1.00 0.00 O ATOM 368 OE2 GLU A 83 5.235 6.829 -8.923 1.00 0.00 O ATOM 0 H GLU A 83 2.062 5.423 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 83 1.191 4.059 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.920 4.069 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.636 3.548 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.980 5.757 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.750 6.309 -7.427 1.00 0.00 H new ATOM 375 N LEU A 84 2.050 2.090 -5.600 1.00 0.00 N ATOM 376 CA LEU A 84 1.960 0.667 -5.179 1.00 0.00 C ATOM 377 C LEU A 84 0.489 0.293 -4.989 1.00 0.00 C ATOM 378 O LEU A 84 0.078 -0.806 -5.303 1.00 0.00 O ATOM 379 CB LEU A 84 2.747 0.454 -3.882 1.00 0.00 C ATOM 380 CG LEU A 84 4.239 0.665 -4.158 1.00 0.00 C ATOM 381 CD1 LEU A 84 5.030 0.530 -2.855 1.00 0.00 C ATOM 382 CD2 LEU A 84 4.729 -0.387 -5.156 1.00 0.00 C ATOM 0 H LEU A 84 2.367 2.742 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 84 2.393 0.026 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.405 1.150 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.574 -0.552 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 84 4.388 1.662 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.091 0.681 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.686 1.279 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.878 -0.466 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.791 -0.236 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.575 -1.383 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.171 -0.292 -6.088 1.00 0.00 H new ATOM 394 N LEU A 85 -0.318 1.199 -4.506 1.00 0.00 N ATOM 395 CA LEU A 85 -1.764 0.877 -4.342 1.00 0.00 C ATOM 396 C LEU A 85 -2.380 0.721 -5.732 1.00 0.00 C ATOM 397 O LEU A 85 -3.225 -0.122 -5.956 1.00 0.00 O ATOM 398 CB LEU A 85 -2.478 2.002 -3.585 1.00 0.00 C ATOM 399 CG LEU A 85 -2.163 1.913 -2.089 1.00 0.00 C ATOM 400 CD1 LEU A 85 -2.526 3.237 -1.415 1.00 0.00 C ATOM 401 CD2 LEU A 85 -2.983 0.784 -1.455 1.00 0.00 C ATOM 0 H LEU A 85 -0.042 2.139 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.874 -0.045 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.162 2.970 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.554 1.931 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.100 1.710 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.303 3.176 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.945 4.044 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.589 3.436 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.756 0.723 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.046 0.987 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.731 -0.162 -1.934 1.00 0.00 H new ATOM 413 N ALA A 86 -1.956 1.522 -6.673 1.00 0.00 N ATOM 414 CA ALA A 86 -2.512 1.407 -8.049 1.00 0.00 C ATOM 415 C ALA A 86 -2.139 0.035 -8.615 1.00 0.00 C ATOM 416 O ALA A 86 -2.885 -0.567 -9.360 1.00 0.00 O ATOM 417 CB ALA A 86 -1.926 2.508 -8.935 1.00 0.00 C ATOM 0 H ALA A 86 -1.251 2.248 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.596 1.515 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.335 2.421 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.183 3.483 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.842 2.405 -8.974 1.00 0.00 H new ATOM 423 N GLU A 87 -0.992 -0.471 -8.244 1.00 0.00 N ATOM 424 CA GLU A 87 -0.574 -1.815 -8.738 1.00 0.00 C ATOM 425 C GLU A 87 -1.362 -2.891 -7.984 1.00 0.00 C ATOM 426 O GLU A 87 -1.777 -3.885 -8.551 1.00 0.00 O ATOM 427 CB GLU A 87 0.925 -2.009 -8.498 1.00 0.00 C ATOM 428 CG GLU A 87 1.437 -3.164 -9.358 1.00 0.00 C ATOM 429 CD GLU A 87 2.906 -3.436 -9.028 1.00 0.00 C ATOM 430 OE1 GLU A 87 3.666 -2.483 -8.973 1.00 0.00 O ATOM 431 OE2 GLU A 87 3.247 -4.592 -8.837 1.00 0.00 O ATOM 0 H GLU A 87 -0.328 -0.012 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.776 -1.893 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.464 -1.094 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.111 -2.217 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.841 -4.058 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.330 -2.919 -10.415 1.00 0.00 H new ATOM 438 N TRP A 88 -1.595 -2.686 -6.716 1.00 0.00 N ATOM 439 CA TRP A 88 -2.377 -3.683 -5.931 1.00 0.00 C ATOM 440 C TRP A 88 -3.796 -3.741 -6.498 1.00 0.00 C ATOM 441 O TRP A 88 -4.375 -4.795 -6.665 1.00 0.00 O ATOM 442 CB TRP A 88 -2.447 -3.242 -4.468 1.00 0.00 C ATOM 443 CG TRP A 88 -1.072 -3.153 -3.876 1.00 0.00 C ATOM 444 CD1 TRP A 88 0.082 -3.515 -4.493 1.00 0.00 C ATOM 445 CD2 TRP A 88 -0.694 -2.676 -2.552 1.00 0.00 C ATOM 446 NE1 TRP A 88 1.138 -3.288 -3.624 1.00 0.00 N ATOM 447 CE2 TRP A 88 0.709 -2.772 -2.420 1.00 0.00 C ATOM 448 CE3 TRP A 88 -1.427 -2.173 -1.461 1.00 0.00 C ATOM 449 CZ2 TRP A 88 1.365 -2.383 -1.251 1.00 0.00 C ATOM 450 CZ3 TRP A 88 -0.771 -1.780 -0.282 1.00 0.00 C ATOM 451 CH2 TRP A 88 0.622 -1.886 -0.178 1.00 0.00 C ATOM 0 H TRP A 88 -1.278 -1.872 -6.190 1.00 0.00 H new ATOM 0 HA TRP A 88 -1.899 -4.661 -5.994 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -2.942 -2.273 -4.398 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.049 -3.950 -3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.164 -3.913 -5.494 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.114 -3.480 -3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.501 -2.088 -1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 2.439 -2.466 -1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.344 -1.394 0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.121 -1.584 0.731 1.00 0.00 H new ATOM 462 N LYS A 89 -4.352 -2.600 -6.795 1.00 0.00 N ATOM 463 CA LYS A 89 -5.731 -2.542 -7.354 1.00 0.00 C ATOM 464 C LYS A 89 -5.739 -3.018 -8.807 1.00 0.00 C ATOM 465 O LYS A 89 -6.721 -3.555 -9.279 1.00 0.00 O ATOM 466 CB LYS A 89 -6.231 -1.096 -7.300 1.00 0.00 C ATOM 467 CG LYS A 89 -7.744 -1.077 -7.522 1.00 0.00 C ATOM 468 CD LYS A 89 -8.275 0.348 -7.341 1.00 0.00 C ATOM 469 CE LYS A 89 -9.695 0.294 -6.778 1.00 0.00 C ATOM 470 NZ LYS A 89 -9.644 -0.065 -5.333 1.00 0.00 N ATOM 0 H LYS A 89 -3.903 -1.693 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.380 -3.191 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.988 -0.650 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.732 -0.498 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.979 -1.438 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.233 -1.750 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.626 0.907 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.271 0.873 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.185 1.259 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.287 -0.440 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.510 0.266 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.569 -1.098 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.817 0.386 -4.892 1.00 0.00 H new ATOM 484 N ARG A 90 -4.672 -2.824 -9.534 1.00 0.00 N ATOM 485 CA ARG A 90 -4.673 -3.273 -10.955 1.00 0.00 C ATOM 486 C ARG A 90 -4.822 -4.795 -11.003 1.00 0.00 C ATOM 487 O ARG A 90 -5.593 -5.324 -11.779 1.00 0.00 O ATOM 488 CB ARG A 90 -3.371 -2.857 -11.642 1.00 0.00 C ATOM 489 CG ARG A 90 -3.557 -1.495 -12.313 1.00 0.00 C ATOM 490 CD ARG A 90 -2.198 -0.963 -12.775 1.00 0.00 C ATOM 491 NE ARG A 90 -1.777 -1.676 -14.014 1.00 0.00 N ATOM 492 CZ ARG A 90 -2.171 -1.246 -15.181 1.00 0.00 C ATOM 493 NH1 ARG A 90 -2.955 -0.205 -15.264 1.00 0.00 N ATOM 494 NH2 ARG A 90 -1.785 -1.859 -16.267 1.00 0.00 N ATOM 0 H ARG A 90 -3.812 -2.381 -9.212 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.508 -2.807 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.563 -2.807 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.085 -3.603 -12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.232 -1.586 -13.164 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.016 -0.794 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.261 0.109 -12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.455 -1.106 -11.991 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.180 -2.501 -13.950 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.260 0.273 -14.416 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.262 0.130 -16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.175 -2.674 -16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.093 -1.523 -17.179 1.00 0.00 H new ATOM 508 N THR A 91 -4.098 -5.504 -10.179 1.00 0.00 N ATOM 509 CA THR A 91 -4.213 -6.993 -10.182 1.00 0.00 C ATOM 510 C THR A 91 -5.012 -7.449 -8.957 1.00 0.00 C ATOM 511 O THR A 91 -5.826 -8.348 -9.040 1.00 0.00 O ATOM 512 CB THR A 91 -2.815 -7.620 -10.146 1.00 0.00 C ATOM 513 OG1 THR A 91 -2.914 -8.967 -9.705 1.00 0.00 O ATOM 514 CG2 THR A 91 -1.917 -6.832 -9.188 1.00 0.00 C ATOM 0 H THR A 91 -3.434 -5.120 -9.506 1.00 0.00 H new ATOM 0 HA THR A 91 -4.727 -7.312 -11.089 1.00 0.00 H new ATOM 0 HB THR A 91 -2.382 -7.593 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.021 -9.370 -9.683 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.925 -7.282 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.840 -5.799 -9.528 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.347 -6.853 -8.186 1.00 0.00 H new ATOM 522 N GLY A 92 -4.787 -6.842 -7.823 1.00 0.00 N ATOM 523 CA GLY A 92 -5.534 -7.245 -6.595 1.00 0.00 C ATOM 524 C GLY A 92 -4.585 -7.962 -5.634 1.00 0.00 C ATOM 525 O GLY A 92 -5.001 -8.523 -4.640 1.00 0.00 O ATOM 0 H GLY A 92 -4.118 -6.083 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.962 -6.367 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.364 -7.900 -6.860 1.00 0.00 H new TER 529 GLY A 92