USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 CYS SG : rot 174:sc= 0.215 USER MOD Set 2.2: A 40 CYS SG : rot 89:sc= -1.01 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 16 SER OG : rot 52:sc= 0.311 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.986 F(o=-2.1,f=-0.99) USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc=-0.00306 (180deg=-0.0984) USER MOD Single : A 42 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.5!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.18 F(o=-3!,f=-1.2) USER MOD Single : A 58 THR OG1 : rot -87:sc= 1.47 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -113:sc= 0.288 (180deg=-1.04) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc=-0.00152 (180deg=-0.131) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 72 ASN : amide:sc= -8.76! C(o=-8.8!,f=-13!) USER MOD Single : A 73 GLN : amide:sc=-0.00862 X(o=-0.0086,f=-0.17) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.145 USER MOD Single : A 86 THR OG1 : rot -19:sc= 0.0707 USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= -0.0681 (180deg=-0.213) USER MOD Single : A 91 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.5) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0.962 (180deg=0.88) USER MOD Single : A 95 SER OG : rot 180:sc= -0.959 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.552 USER MOD Single : A 104 THR OG1 : rot -31:sc= 0.0868 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.184 K(o=0.18,f=-1) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -8.069 5.799 3.538 1.00 0.00 N ATOM 67 CA ASP A 8 -6.979 6.508 2.878 1.00 0.00 C ATOM 68 C ASP A 8 -6.233 5.586 1.918 1.00 0.00 C ATOM 69 O ASP A 8 -5.686 6.034 0.910 1.00 0.00 O ATOM 70 CB ASP A 8 -6.009 7.075 3.916 1.00 0.00 C ATOM 71 CG ASP A 8 -5.075 8.115 3.328 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.457 8.757 2.327 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.963 8.287 3.870 1.00 0.00 O ATOM 0 HA ASP A 8 -7.408 7.330 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.576 7.521 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.421 6.262 4.342 1.00 0.00 H new ATOM 78 N VAL A 9 -6.216 4.296 2.238 1.00 0.00 N ATOM 79 CA VAL A 9 -5.538 3.311 1.404 1.00 0.00 C ATOM 80 C VAL A 9 -6.263 3.123 0.076 1.00 0.00 C ATOM 81 O VAL A 9 -7.482 2.957 0.041 1.00 0.00 O ATOM 82 CB VAL A 9 -5.433 1.949 2.116 1.00 0.00 C ATOM 83 CG1 VAL A 9 -4.958 0.876 1.149 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.503 2.047 3.316 1.00 0.00 C ATOM 0 H VAL A 9 -6.664 3.909 3.069 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.534 3.693 1.216 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.423 1.668 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.890 -0.079 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.666 0.790 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.977 1.147 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.440 1.076 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.510 2.350 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.891 2.785 4.018 1.00 0.00 H new ATOM 94 N ILE A 10 -5.504 3.149 -1.015 1.00 0.00 N ATOM 95 CA ILE A 10 -6.075 2.979 -2.346 1.00 0.00 C ATOM 96 C ILE A 10 -5.819 1.574 -2.878 1.00 0.00 C ATOM 97 O ILE A 10 -4.699 1.069 -2.812 1.00 0.00 O ATOM 98 CB ILE A 10 -5.499 4.005 -3.340 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.796 5.429 -2.865 1.00 0.00 C ATOM 100 CG2 ILE A 10 -6.071 3.774 -4.730 1.00 0.00 C ATOM 101 CD1 ILE A 10 -5.013 6.489 -3.608 1.00 0.00 C ATOM 0 H ILE A 10 -4.493 3.286 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.149 3.139 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.418 3.876 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.861 5.627 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.572 5.503 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.655 4.507 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.814 2.770 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.155 3.880 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.274 7.473 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.946 6.316 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.255 6.443 -4.670 1.00 0.00 H new ATOM 113 N GLU A 11 -6.865 0.948 -3.409 1.00 0.00 N ATOM 114 CA GLU A 11 -6.753 -0.399 -3.954 1.00 0.00 C ATOM 115 C GLU A 11 -6.471 -0.358 -5.453 1.00 0.00 C ATOM 116 O GLU A 11 -7.205 0.269 -6.218 1.00 0.00 O ATOM 117 CB GLU A 11 -8.036 -1.190 -3.688 1.00 0.00 C ATOM 118 CG GLU A 11 -7.948 -2.650 -4.099 1.00 0.00 C ATOM 119 CD GLU A 11 -9.197 -3.432 -3.745 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.386 -3.741 -2.549 1.00 0.00 O ATOM 121 OE2 GLU A 11 -9.987 -3.737 -4.663 1.00 0.00 O ATOM 0 H GLU A 11 -7.799 1.353 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.919 -0.895 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.273 -1.134 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.860 -0.720 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.778 -2.711 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.087 -3.109 -3.613 1.00 0.00 H new ATOM 128 N LEU A 12 -5.401 -1.029 -5.866 1.00 0.00 N ATOM 129 CA LEU A 12 -5.020 -1.069 -7.274 1.00 0.00 C ATOM 130 C LEU A 12 -5.073 -2.495 -7.812 1.00 0.00 C ATOM 131 O LEU A 12 -5.037 -3.461 -7.048 1.00 0.00 O ATOM 132 CB LEU A 12 -3.614 -0.494 -7.458 1.00 0.00 C ATOM 133 CG LEU A 12 -3.364 0.880 -6.837 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.872 1.145 -6.710 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.033 1.969 -7.663 1.00 0.00 C ATOM 0 H LEU A 12 -4.782 -1.552 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.731 -0.462 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.897 -1.198 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.406 -0.431 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.800 0.890 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.714 2.128 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.420 0.383 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.412 1.115 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.844 2.940 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.627 1.959 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.107 1.789 -7.701 1.00 0.00 H new ATOM 147 N THR A 13 -5.156 -2.621 -9.133 1.00 0.00 N ATOM 148 CA THR A 13 -5.213 -3.929 -9.774 1.00 0.00 C ATOM 149 C THR A 13 -4.024 -4.137 -10.705 1.00 0.00 C ATOM 150 O THR A 13 -3.129 -3.295 -10.782 1.00 0.00 O ATOM 151 CB THR A 13 -6.516 -4.105 -10.576 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.597 -3.110 -11.602 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.730 -4.003 -9.665 1.00 0.00 C ATOM 0 H THR A 13 -5.185 -1.833 -9.780 1.00 0.00 H new ATOM 0 HA THR A 13 -5.182 -4.673 -8.978 1.00 0.00 H new ATOM 0 HB THR A 13 -6.506 -5.095 -11.031 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.427 -3.229 -12.109 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.638 -4.130 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.679 -4.781 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.743 -3.025 -9.185 1.00 0.00 H new ATOM 161 N ASP A 14 -4.021 -5.262 -11.411 1.00 0.00 N ATOM 162 CA ASP A 14 -2.943 -5.580 -12.339 1.00 0.00 C ATOM 163 C ASP A 14 -2.853 -4.535 -13.446 1.00 0.00 C ATOM 164 O ASP A 14 -1.776 -4.278 -13.985 1.00 0.00 O ATOM 165 CB ASP A 14 -3.156 -6.967 -12.947 1.00 0.00 C ATOM 166 CG ASP A 14 -4.619 -7.267 -13.207 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.377 -6.317 -13.493 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.007 -8.451 -13.123 1.00 0.00 O ATOM 0 H ASP A 14 -4.754 -5.969 -11.358 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.006 -5.576 -11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.602 -7.039 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.747 -7.722 -12.275 1.00 0.00 H new ATOM 173 N ASP A 15 -3.990 -3.936 -13.781 1.00 0.00 N ATOM 174 CA ASP A 15 -4.041 -2.918 -14.824 1.00 0.00 C ATOM 175 C ASP A 15 -4.073 -1.519 -14.217 1.00 0.00 C ATOM 176 O ASP A 15 -3.574 -0.563 -14.810 1.00 0.00 O ATOM 177 CB ASP A 15 -5.266 -3.130 -15.715 1.00 0.00 C ATOM 178 CG ASP A 15 -6.562 -3.113 -14.929 1.00 0.00 C ATOM 179 OD1 ASP A 15 -7.057 -2.008 -14.624 1.00 0.00 O ATOM 180 OD2 ASP A 15 -7.082 -4.206 -14.620 1.00 0.00 O ATOM 0 H ASP A 15 -4.890 -4.138 -13.345 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.140 -3.010 -15.431 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.296 -2.352 -16.477 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.173 -4.083 -16.236 1.00 0.00 H new ATOM 185 N SER A 16 -4.666 -1.407 -13.033 1.00 0.00 N ATOM 186 CA SER A 16 -4.768 -0.124 -12.348 1.00 0.00 C ATOM 187 C SER A 16 -3.595 0.077 -11.393 1.00 0.00 C ATOM 188 O SER A 16 -3.640 0.932 -10.508 1.00 0.00 O ATOM 189 CB SER A 16 -6.087 -0.036 -11.578 1.00 0.00 C ATOM 190 OG SER A 16 -7.178 0.170 -12.459 1.00 0.00 O ATOM 0 H SER A 16 -5.083 -2.189 -12.528 1.00 0.00 H new ATOM 0 HA SER A 16 -4.741 0.664 -13.100 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.242 -0.953 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.038 0.781 -10.858 1.00 0.00 H new ATOM 0 HG SER A 16 -7.154 -0.502 -13.172 1.00 0.00 H new ATOM 196 N PHE A 17 -2.546 -0.717 -11.579 1.00 0.00 N ATOM 197 CA PHE A 17 -1.361 -0.628 -10.734 1.00 0.00 C ATOM 198 C PHE A 17 -0.245 0.137 -11.441 1.00 0.00 C ATOM 199 O PHE A 17 0.626 0.722 -10.797 1.00 0.00 O ATOM 200 CB PHE A 17 -0.873 -2.028 -10.354 1.00 0.00 C ATOM 201 CG PHE A 17 0.553 -2.059 -9.885 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.594 -1.832 -10.772 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.854 -2.313 -8.557 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.907 -1.861 -10.342 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.166 -2.343 -8.121 1.00 0.00 C ATOM 206 CZ PHE A 17 3.193 -2.115 -9.015 1.00 0.00 C ATOM 0 H PHE A 17 -2.492 -1.429 -12.307 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.632 -0.086 -9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.514 -2.427 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.978 -2.687 -11.216 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.376 -1.630 -11.810 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.054 -2.490 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.709 -1.685 -11.043 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.387 -2.544 -7.083 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.219 -2.135 -8.677 1.00 0.00 H new ATOM 216 N ASP A 18 -0.279 0.127 -12.769 1.00 0.00 N ATOM 217 CA ASP A 18 0.728 0.820 -13.565 1.00 0.00 C ATOM 218 C ASP A 18 0.273 2.237 -13.903 1.00 0.00 C ATOM 219 O ASP A 18 0.981 3.208 -13.634 1.00 0.00 O ATOM 220 CB ASP A 18 1.016 0.043 -14.850 1.00 0.00 C ATOM 221 CG ASP A 18 1.141 -1.448 -14.610 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.151 -1.869 -14.008 1.00 0.00 O ATOM 223 OD2 ASP A 18 0.230 -2.195 -15.024 1.00 0.00 O ATOM 0 H ASP A 18 -0.993 -0.353 -13.317 1.00 0.00 H new ATOM 0 HA ASP A 18 1.642 0.883 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.217 0.226 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.938 0.415 -15.297 1.00 0.00 H new ATOM 228 N LYS A 19 -0.912 2.347 -14.494 1.00 0.00 N ATOM 229 CA LYS A 19 -1.462 3.644 -14.869 1.00 0.00 C ATOM 230 C LYS A 19 -1.723 4.502 -13.635 1.00 0.00 C ATOM 231 O LYS A 19 -2.073 5.676 -13.746 1.00 0.00 O ATOM 232 CB LYS A 19 -2.760 3.461 -15.659 1.00 0.00 C ATOM 233 CG LYS A 19 -3.999 3.389 -14.785 1.00 0.00 C ATOM 234 CD LYS A 19 -5.262 3.242 -15.618 1.00 0.00 C ATOM 235 CE LYS A 19 -6.497 3.668 -14.839 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.750 3.406 -15.599 1.00 0.00 N ATOM 0 H LYS A 19 -1.510 1.553 -14.724 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.730 4.153 -15.496 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.868 4.288 -16.360 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.690 2.548 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.914 2.545 -14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.068 4.289 -14.175 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.175 3.845 -16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.371 2.205 -15.936 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.530 3.134 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.430 4.730 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.569 3.710 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.731 3.936 -16.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.827 2.389 -15.801 1.00 0.00 H new ATOM 250 N ASN A 20 -1.548 3.908 -12.459 1.00 0.00 N ATOM 251 CA ASN A 20 -1.764 4.619 -11.204 1.00 0.00 C ATOM 252 C ASN A 20 -0.434 4.990 -10.554 1.00 0.00 C ATOM 253 O ASN A 20 -0.321 6.024 -9.894 1.00 0.00 O ATOM 254 CB ASN A 20 -2.591 3.762 -10.244 1.00 0.00 C ATOM 255 CG ASN A 20 -4.080 3.859 -10.519 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.549 3.109 -11.509 1.00 0.00 O flip ATOM 257 ND2 ASN A 20 -4.799 4.600 -9.848 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.257 2.937 -12.349 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.310 5.536 -11.424 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.276 2.722 -10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.392 4.075 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.395 5.159 -9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.799 4.655 -10.044 1.00 0.00 H new ATOM 264 N VAL A 21 0.570 4.140 -10.745 1.00 0.00 N ATOM 265 CA VAL A 21 1.892 4.380 -10.179 1.00 0.00 C ATOM 266 C VAL A 21 2.822 5.017 -11.206 1.00 0.00 C ATOM 267 O VAL A 21 3.279 6.147 -11.030 1.00 0.00 O ATOM 268 CB VAL A 21 2.528 3.074 -9.667 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.967 3.314 -9.236 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.710 2.496 -8.523 1.00 0.00 C ATOM 0 H VAL A 21 0.493 3.279 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 21 1.759 5.064 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 21 2.534 2.350 -10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.400 2.380 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.545 3.679 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.989 4.055 -8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.174 1.574 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.670 3.215 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.698 2.285 -8.870 1.00 0.00 H new ATOM 280 N LEU A 22 3.099 4.285 -12.280 1.00 0.00 N ATOM 281 CA LEU A 22 3.975 4.778 -13.337 1.00 0.00 C ATOM 282 C LEU A 22 3.463 6.102 -13.895 1.00 0.00 C ATOM 283 O LEU A 22 4.180 7.102 -13.903 1.00 0.00 O ATOM 284 CB LEU A 22 4.082 3.745 -14.460 1.00 0.00 C ATOM 285 CG LEU A 22 4.111 2.280 -14.025 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.358 1.373 -15.220 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.175 2.062 -12.959 1.00 0.00 C ATOM 0 H LEU A 22 2.730 3.348 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 22 4.964 4.944 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.239 3.885 -15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.987 3.951 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 22 3.140 2.028 -13.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.375 0.334 -14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.561 1.509 -15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.315 1.625 -15.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.182 1.014 -12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.152 2.332 -13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.954 2.684 -12.092 1.00 0.00 H new ATOM 299 N ASP A 23 2.217 6.101 -14.357 1.00 0.00 N ATOM 300 CA ASP A 23 1.608 7.303 -14.914 1.00 0.00 C ATOM 301 C ASP A 23 1.629 8.442 -13.900 1.00 0.00 C ATOM 302 O ASP A 23 1.389 9.599 -14.246 1.00 0.00 O ATOM 303 CB ASP A 23 0.169 7.017 -15.348 1.00 0.00 C ATOM 304 CG ASP A 23 -0.290 7.931 -16.467 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.716 9.066 -16.169 1.00 0.00 O ATOM 306 OD2 ASP A 23 -0.225 7.510 -17.642 1.00 0.00 O ATOM 0 H ASP A 23 1.610 5.282 -14.357 1.00 0.00 H new ATOM 0 HA ASP A 23 2.189 7.605 -15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.090 5.980 -15.674 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.496 7.133 -14.492 1.00 0.00 H new ATOM 311 N SER A 24 1.915 8.107 -12.646 1.00 0.00 N ATOM 312 CA SER A 24 1.963 9.101 -11.580 1.00 0.00 C ATOM 313 C SER A 24 3.401 9.360 -11.143 1.00 0.00 C ATOM 314 O SER A 24 4.196 8.431 -11.007 1.00 0.00 O ATOM 315 CB SER A 24 1.129 8.637 -10.384 1.00 0.00 C ATOM 316 OG SER A 24 0.596 9.742 -9.675 1.00 0.00 O ATOM 0 H SER A 24 2.117 7.154 -12.343 1.00 0.00 H new ATOM 0 HA SER A 24 1.546 10.032 -11.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.317 7.997 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.747 8.036 -9.717 1.00 0.00 H new ATOM 0 HG SER A 24 -0.059 9.424 -9.019 1.00 0.00 H new ATOM 322 N GLU A 25 3.726 10.630 -10.923 1.00 0.00 N ATOM 323 CA GLU A 25 5.069 11.012 -10.502 1.00 0.00 C ATOM 324 C GLU A 25 5.208 10.926 -8.985 1.00 0.00 C ATOM 325 O GLU A 25 6.292 11.130 -8.437 1.00 0.00 O ATOM 326 CB GLU A 25 5.392 12.431 -10.975 1.00 0.00 C ATOM 327 CG GLU A 25 4.361 13.464 -10.550 1.00 0.00 C ATOM 328 CD GLU A 25 4.954 14.851 -10.396 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.549 15.353 -11.373 1.00 0.00 O ATOM 330 OE2 GLU A 25 4.824 15.434 -9.300 1.00 0.00 O ATOM 0 H GLU A 25 3.079 11.411 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 25 5.776 10.316 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.367 12.722 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.470 12.434 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.559 13.496 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.913 13.157 -9.605 1.00 0.00 H new ATOM 337 N ASP A 26 4.104 10.624 -8.311 1.00 0.00 N ATOM 338 CA ASP A 26 4.101 10.510 -6.858 1.00 0.00 C ATOM 339 C ASP A 26 4.476 9.097 -6.422 1.00 0.00 C ATOM 340 O ASP A 26 4.262 8.133 -7.157 1.00 0.00 O ATOM 341 CB ASP A 26 2.727 10.882 -6.298 1.00 0.00 C ATOM 342 CG ASP A 26 2.609 12.361 -5.987 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.081 13.178 -6.805 1.00 0.00 O ATOM 344 OD2 ASP A 26 2.046 12.702 -4.926 1.00 0.00 O ATOM 0 H ASP A 26 3.199 10.454 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 26 4.845 11.202 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.957 10.603 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.540 10.307 -5.391 1.00 0.00 H new ATOM 349 N VAL A 27 5.038 8.982 -5.223 1.00 0.00 N ATOM 350 CA VAL A 27 5.443 7.687 -4.690 1.00 0.00 C ATOM 351 C VAL A 27 4.230 6.844 -4.314 1.00 0.00 C ATOM 352 O VAL A 27 3.307 7.324 -3.657 1.00 0.00 O ATOM 353 CB VAL A 27 6.347 7.847 -3.453 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.745 6.486 -2.902 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.577 8.673 -3.796 1.00 0.00 C ATOM 0 H VAL A 27 5.223 9.770 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 27 6.003 7.182 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 27 5.787 8.375 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.383 6.620 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.850 5.933 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.287 5.929 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.204 8.776 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.141 8.175 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.268 9.661 -4.139 1.00 0.00 H new ATOM 365 N TRP A 28 4.239 5.584 -4.735 1.00 0.00 N ATOM 366 CA TRP A 28 3.139 4.673 -4.441 1.00 0.00 C ATOM 367 C TRP A 28 3.633 3.453 -3.672 1.00 0.00 C ATOM 368 O TRP A 28 4.451 2.681 -4.172 1.00 0.00 O ATOM 369 CB TRP A 28 2.456 4.231 -5.737 1.00 0.00 C ATOM 370 CG TRP A 28 1.479 5.237 -6.265 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.755 6.302 -7.074 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.068 5.273 -6.021 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.602 6.998 -7.347 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.447 6.386 -6.713 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.809 4.471 -5.286 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.799 6.716 -6.689 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.151 4.800 -5.263 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.636 5.914 -5.962 1.00 0.00 C ATOM 0 H TRP A 28 4.995 5.171 -5.281 1.00 0.00 H new ATOM 0 HA TRP A 28 2.417 5.203 -3.820 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.217 4.042 -6.494 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.938 3.288 -5.563 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.736 6.560 -7.445 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.538 7.834 -7.927 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.445 3.610 -4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.174 7.575 -7.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.838 4.188 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.691 6.144 -5.926 1.00 0.00 H new ATOM 389 N MET A 29 3.131 3.284 -2.453 1.00 0.00 N ATOM 390 CA MET A 29 3.521 2.156 -1.615 1.00 0.00 C ATOM 391 C MET A 29 2.551 0.991 -1.785 1.00 0.00 C ATOM 392 O MET A 29 1.434 1.020 -1.268 1.00 0.00 O ATOM 393 CB MET A 29 3.576 2.579 -0.146 1.00 0.00 C ATOM 394 CG MET A 29 4.934 3.110 0.283 1.00 0.00 C ATOM 395 SD MET A 29 5.029 3.425 2.056 1.00 0.00 S ATOM 396 CE MET A 29 6.417 2.388 2.510 1.00 0.00 C ATOM 0 H MET A 29 2.453 3.914 -2.024 1.00 0.00 H new ATOM 0 HA MET A 29 4.512 1.829 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.822 3.346 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.315 1.725 0.479 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.705 2.392 0.004 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.146 4.032 -0.258 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.601 2.475 3.581 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.192 1.350 2.263 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.304 2.707 1.963 1.00 0.00 H new ATOM 406 N VAL A 30 2.984 -0.033 -2.514 1.00 0.00 N ATOM 407 CA VAL A 30 2.154 -1.208 -2.751 1.00 0.00 C ATOM 408 C VAL A 30 2.376 -2.264 -1.675 1.00 0.00 C ATOM 409 O VAL A 30 3.503 -2.700 -1.443 1.00 0.00 O ATOM 410 CB VAL A 30 2.441 -1.828 -4.131 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.540 -3.029 -4.375 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.268 -0.790 -5.229 1.00 0.00 C ATOM 0 H VAL A 30 3.905 -0.072 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 30 1.117 -0.875 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 30 3.476 -2.171 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.757 -3.454 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.719 -3.780 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.497 -2.715 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.475 -1.246 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.245 -0.414 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.960 0.035 -5.062 1.00 0.00 H new ATOM 422 N GLU A 31 1.293 -2.671 -1.020 1.00 0.00 N ATOM 423 CA GLU A 31 1.371 -3.677 0.033 1.00 0.00 C ATOM 424 C GLU A 31 0.450 -4.855 -0.271 1.00 0.00 C ATOM 425 O GLU A 31 -0.767 -4.764 -0.109 1.00 0.00 O ATOM 426 CB GLU A 31 1.001 -3.062 1.384 1.00 0.00 C ATOM 427 CG GLU A 31 0.743 -4.092 2.471 1.00 0.00 C ATOM 428 CD GLU A 31 1.897 -5.060 2.644 1.00 0.00 C ATOM 429 OE1 GLU A 31 2.128 -5.878 1.729 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.569 -4.999 3.695 1.00 0.00 O ATOM 0 H GLU A 31 0.352 -2.320 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 31 2.397 -4.042 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.806 -2.401 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.111 -2.445 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.559 -3.580 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.161 -4.650 2.230 1.00 0.00 H new ATOM 437 N PHE A 32 1.039 -5.961 -0.714 1.00 0.00 N ATOM 438 CA PHE A 32 0.273 -7.157 -1.043 1.00 0.00 C ATOM 439 C PHE A 32 -0.135 -7.906 0.222 1.00 0.00 C ATOM 440 O PHE A 32 0.701 -8.209 1.074 1.00 0.00 O ATOM 441 CB PHE A 32 1.089 -8.077 -1.954 1.00 0.00 C ATOM 442 CG PHE A 32 1.613 -7.392 -3.183 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.751 -6.603 -3.121 1.00 0.00 C ATOM 444 CD2 PHE A 32 0.969 -7.537 -4.401 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.235 -5.971 -4.250 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.449 -6.908 -5.535 1.00 0.00 C ATOM 447 CZ PHE A 32 2.584 -6.124 -5.459 1.00 0.00 C ATOM 0 H PHE A 32 2.045 -6.054 -0.853 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.631 -6.847 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.928 -8.484 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.468 -8.921 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.265 -6.481 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.081 -8.149 -4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.122 -5.358 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.938 -7.029 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.962 -5.632 -6.343 1.00 0.00 H new ATOM 457 N TYR A 33 -1.425 -8.201 0.338 1.00 0.00 N ATOM 458 CA TYR A 33 -1.946 -8.912 1.499 1.00 0.00 C ATOM 459 C TYR A 33 -3.025 -9.909 1.089 1.00 0.00 C ATOM 460 O TYR A 33 -3.572 -9.832 -0.011 1.00 0.00 O ATOM 461 CB TYR A 33 -2.512 -7.921 2.518 1.00 0.00 C ATOM 462 CG TYR A 33 -3.917 -7.463 2.201 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.002 -8.314 2.373 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.161 -6.179 1.728 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.288 -7.900 2.084 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.443 -5.756 1.438 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.503 -6.620 1.618 1.00 0.00 C ATOM 468 OH TYR A 33 -7.782 -6.203 1.328 1.00 0.00 O ATOM 0 H TYR A 33 -2.129 -7.958 -0.359 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.123 -9.463 1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.504 -8.383 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.858 -7.051 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.837 -9.317 2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.333 -5.500 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.120 -8.575 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.615 -4.754 1.072 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.760 -5.276 1.012 1.00 0.00 H new ATOM 478 N ALA A 34 -3.327 -10.845 1.983 1.00 0.00 N ATOM 479 CA ALA A 34 -4.342 -11.857 1.717 1.00 0.00 C ATOM 480 C ALA A 34 -5.441 -11.822 2.773 1.00 0.00 C ATOM 481 O ALA A 34 -5.184 -11.658 3.966 1.00 0.00 O ATOM 482 CB ALA A 34 -3.708 -13.238 1.657 1.00 0.00 C ATOM 0 H ALA A 34 -2.883 -10.923 2.898 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.796 -11.636 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.478 -13.983 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.964 -13.263 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.227 -13.459 2.610 1.00 0.00 H new ATOM 488 N PRO A 35 -6.696 -11.980 2.327 1.00 0.00 N ATOM 489 CA PRO A 35 -7.860 -11.971 3.219 1.00 0.00 C ATOM 490 C PRO A 35 -7.917 -13.206 4.111 1.00 0.00 C ATOM 491 O PRO A 35 -8.762 -13.303 5.000 1.00 0.00 O ATOM 492 CB PRO A 35 -9.047 -11.954 2.253 1.00 0.00 C ATOM 493 CG PRO A 35 -8.526 -12.572 1.001 1.00 0.00 C ATOM 494 CD PRO A 35 -7.076 -12.181 0.919 1.00 0.00 C ATOM 0 HA PRO A 35 -7.840 -11.125 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.890 -12.518 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.399 -10.938 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.637 -13.656 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.077 -12.214 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.476 -12.960 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.937 -11.273 0.332 1.00 0.00 H new ATOM 502 N TRP A 36 -7.012 -14.148 3.868 1.00 0.00 N ATOM 503 CA TRP A 36 -6.960 -15.378 4.650 1.00 0.00 C ATOM 504 C TRP A 36 -5.669 -15.454 5.458 1.00 0.00 C ATOM 505 O TRP A 36 -5.433 -16.426 6.177 1.00 0.00 O ATOM 506 CB TRP A 36 -7.075 -16.596 3.732 1.00 0.00 C ATOM 507 CG TRP A 36 -6.451 -16.386 2.386 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.102 -16.197 1.201 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.051 -16.347 2.088 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.192 -16.043 0.183 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.927 -16.129 0.701 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.891 -16.472 2.857 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.689 -16.036 0.071 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.663 -16.379 2.229 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.569 -16.162 0.848 1.00 0.00 C ATOM 0 H TRP A 36 -6.305 -14.083 3.136 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.801 -15.375 5.343 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.602 -17.451 4.214 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.128 -16.846 3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.175 -16.172 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.421 -15.890 -0.799 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.953 -16.638 3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.615 -15.870 -0.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.760 -16.475 2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.594 -16.093 0.388 1.00 0.00 H new ATOM 526 N CYS A 37 -4.837 -14.426 5.335 1.00 0.00 N ATOM 527 CA CYS A 37 -3.569 -14.378 6.054 1.00 0.00 C ATOM 528 C CYS A 37 -3.723 -13.639 7.379 1.00 0.00 C ATOM 529 O CYS A 37 -4.067 -12.458 7.406 1.00 0.00 O ATOM 530 CB CYS A 37 -2.499 -13.698 5.198 1.00 0.00 C ATOM 531 SG CYS A 37 -0.809 -14.213 5.582 1.00 0.00 S ATOM 0 H CYS A 37 -5.018 -13.614 4.744 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.259 -15.402 6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.702 -13.908 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.577 -12.619 5.328 1.00 0.00 H new ATOM 0 HG CYS A 37 0.012 -13.684 4.724 1.00 0.00 H new ATOM 537 N GLY A 38 -3.466 -14.343 8.477 1.00 0.00 N ATOM 538 CA GLY A 38 -3.583 -13.738 9.791 1.00 0.00 C ATOM 539 C GLY A 38 -2.447 -12.782 10.092 1.00 0.00 C ATOM 540 O GLY A 38 -2.614 -11.826 10.850 1.00 0.00 O ATOM 0 H GLY A 38 -3.179 -15.322 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.531 -13.204 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.604 -14.522 10.548 1.00 0.00 H new ATOM 544 N HIS A 39 -1.285 -13.040 9.499 1.00 0.00 N ATOM 545 CA HIS A 39 -0.115 -12.195 9.709 1.00 0.00 C ATOM 546 C HIS A 39 -0.305 -10.831 9.052 1.00 0.00 C ATOM 547 O HIS A 39 0.360 -9.859 9.414 1.00 0.00 O ATOM 548 CB HIS A 39 1.136 -12.873 9.150 1.00 0.00 C ATOM 549 CG HIS A 39 1.761 -13.851 10.097 1.00 0.00 C ATOM 550 ND1 HIS A 39 3.032 -13.697 10.608 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.280 -15.001 10.626 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.307 -14.711 11.410 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.260 -15.516 11.438 1.00 0.00 N ATOM 0 H HIS A 39 -1.129 -13.827 8.870 1.00 0.00 H new ATOM 0 HA HIS A 39 0.009 -12.048 10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.877 -13.389 8.226 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.870 -12.109 8.893 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.307 -15.433 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.231 -14.857 11.950 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.191 -16.380 11.976 1.00 0.00 H new ATOM 562 N CYS A 40 -1.215 -10.766 8.087 1.00 0.00 N ATOM 563 CA CYS A 40 -1.491 -9.521 7.379 1.00 0.00 C ATOM 564 C CYS A 40 -2.693 -8.805 7.987 1.00 0.00 C ATOM 565 O CYS A 40 -2.688 -7.583 8.142 1.00 0.00 O ATOM 566 CB CYS A 40 -1.744 -9.799 5.896 1.00 0.00 C ATOM 567 SG CYS A 40 -0.310 -10.456 5.013 1.00 0.00 S ATOM 0 H CYS A 40 -1.774 -11.561 7.777 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.619 -8.875 7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.568 -10.506 5.805 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.062 -8.875 5.413 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.305 -11.753 5.098 1.00 0.00 H new ATOM 573 N LYS A 41 -3.722 -9.572 8.328 1.00 0.00 N ATOM 574 CA LYS A 41 -4.932 -9.013 8.919 1.00 0.00 C ATOM 575 C LYS A 41 -4.589 -8.038 10.041 1.00 0.00 C ATOM 576 O LYS A 41 -5.315 -7.075 10.283 1.00 0.00 O ATOM 577 CB LYS A 41 -5.827 -10.132 9.456 1.00 0.00 C ATOM 578 CG LYS A 41 -5.575 -10.463 10.917 1.00 0.00 C ATOM 579 CD LYS A 41 -6.591 -11.462 11.445 1.00 0.00 C ATOM 580 CE LYS A 41 -7.889 -10.777 11.846 1.00 0.00 C ATOM 581 NZ LYS A 41 -7.744 -10.011 13.114 1.00 0.00 N ATOM 0 H LYS A 41 -3.742 -10.584 8.205 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.469 -8.470 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.871 -9.842 9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.672 -11.029 8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.570 -10.870 11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.618 -9.550 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.795 -12.213 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.174 -11.987 12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.205 -10.104 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.674 -11.525 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.686 -9.760 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.246 -10.594 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.199 -9.143 12.935 1.00 0.00 H new ATOM 595 N ASN A 42 -3.477 -8.295 10.722 1.00 0.00 N ATOM 596 CA ASN A 42 -3.037 -7.440 11.818 1.00 0.00 C ATOM 597 C ASN A 42 -2.475 -6.123 11.290 1.00 0.00 C ATOM 598 O ASN A 42 -2.576 -5.085 11.944 1.00 0.00 O ATOM 599 CB ASN A 42 -1.980 -8.157 12.660 1.00 0.00 C ATOM 600 CG ASN A 42 -2.593 -9.105 13.673 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.704 -8.883 14.154 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.868 -10.168 14.002 1.00 0.00 N ATOM 0 H ASN A 42 -2.864 -9.088 10.534 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.902 -7.220 12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.312 -8.714 12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.371 -7.418 13.180 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.228 -10.841 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.952 -10.312 13.578 1.00 0.00 H new ATOM 609 N LEU A 43 -1.884 -6.174 10.101 1.00 0.00 N ATOM 610 CA LEU A 43 -1.306 -4.986 9.483 1.00 0.00 C ATOM 611 C LEU A 43 -2.374 -4.178 8.752 1.00 0.00 C ATOM 612 O LEU A 43 -2.202 -2.985 8.504 1.00 0.00 O ATOM 613 CB LEU A 43 -0.195 -5.382 8.509 1.00 0.00 C ATOM 614 CG LEU A 43 0.149 -4.356 7.429 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.015 -3.246 8.004 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.850 -5.029 6.258 1.00 0.00 C ATOM 0 H LEU A 43 -1.793 -7.025 9.546 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.884 -4.365 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.707 -5.591 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.483 -6.312 8.019 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.779 -3.914 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.250 -2.525 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.477 -2.745 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.939 -3.671 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.087 -4.284 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.770 -5.498 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.195 -5.788 5.829 1.00 0.00 H new ATOM 628 N GLU A 44 -3.478 -4.837 8.411 1.00 0.00 N ATOM 629 CA GLU A 44 -4.574 -4.180 7.709 1.00 0.00 C ATOM 630 C GLU A 44 -4.766 -2.753 8.217 1.00 0.00 C ATOM 631 O GLU A 44 -4.686 -1.783 7.462 1.00 0.00 O ATOM 632 CB GLU A 44 -5.870 -4.974 7.884 1.00 0.00 C ATOM 633 CG GLU A 44 -7.118 -4.107 7.894 1.00 0.00 C ATOM 634 CD GLU A 44 -8.389 -4.913 7.710 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.423 -5.770 6.803 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.351 -4.686 8.474 1.00 0.00 O ATOM 0 H GLU A 44 -3.636 -5.825 8.610 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.322 -4.140 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.951 -5.703 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.820 -5.535 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.170 -3.563 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.046 -3.363 7.100 1.00 0.00 H new ATOM 643 N PRO A 45 -5.027 -2.621 9.526 1.00 0.00 N ATOM 644 CA PRO A 45 -5.236 -1.318 10.164 1.00 0.00 C ATOM 645 C PRO A 45 -3.954 -0.495 10.236 1.00 0.00 C ATOM 646 O PRO A 45 -3.965 0.709 9.984 1.00 0.00 O ATOM 647 CB PRO A 45 -5.716 -1.685 11.570 1.00 0.00 C ATOM 648 CG PRO A 45 -5.156 -3.043 11.819 1.00 0.00 C ATOM 649 CD PRO A 45 -5.136 -3.734 10.484 1.00 0.00 C ATOM 0 HA PRO A 45 -5.939 -0.699 9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.360 -0.968 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.804 -1.689 11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.153 -2.980 12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.768 -3.593 12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.294 -4.421 10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.042 -4.318 10.320 1.00 0.00 H new ATOM 657 N GLU A 46 -2.852 -1.154 10.581 1.00 0.00 N ATOM 658 CA GLU A 46 -1.563 -0.482 10.686 1.00 0.00 C ATOM 659 C GLU A 46 -1.216 0.236 9.385 1.00 0.00 C ATOM 660 O GLU A 46 -0.597 1.301 9.397 1.00 0.00 O ATOM 661 CB GLU A 46 -0.464 -1.488 11.035 1.00 0.00 C ATOM 662 CG GLU A 46 -0.451 -1.892 12.499 1.00 0.00 C ATOM 663 CD GLU A 46 0.306 -3.184 12.741 1.00 0.00 C ATOM 664 OE1 GLU A 46 -0.249 -4.261 12.439 1.00 0.00 O ATOM 665 OE2 GLU A 46 1.451 -3.117 13.234 1.00 0.00 O ATOM 0 H GLU A 46 -2.827 -2.152 10.792 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.633 0.259 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.592 -2.380 10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.504 -1.060 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.001 -1.094 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.477 -2.005 12.850 1.00 0.00 H new ATOM 672 N TRP A 47 -1.618 -0.354 8.266 1.00 0.00 N ATOM 673 CA TRP A 47 -1.349 0.228 6.956 1.00 0.00 C ATOM 674 C TRP A 47 -2.321 1.364 6.655 1.00 0.00 C ATOM 675 O TRP A 47 -1.931 2.401 6.118 1.00 0.00 O ATOM 676 CB TRP A 47 -1.446 -0.843 5.869 1.00 0.00 C ATOM 677 CG TRP A 47 -0.973 -0.372 4.527 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.747 0.096 3.503 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.380 -0.326 4.062 1.00 0.00 C ATOM 680 NE1 TRP A 47 -0.956 0.430 2.431 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.353 0.181 2.749 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.613 -0.663 4.629 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.510 0.359 1.995 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.760 -0.487 3.880 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.703 0.021 2.575 1.00 0.00 C ATOM 0 H TRP A 47 -2.131 -1.235 8.239 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.337 0.633 6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.858 -1.710 6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.481 -1.173 5.786 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.823 0.190 3.532 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.289 0.803 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.667 -1.054 5.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.468 0.750 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.718 -0.745 4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.618 0.148 2.016 1.00 0.00 H new ATOM 696 N ALA A 48 -3.587 1.162 7.005 1.00 0.00 N ATOM 697 CA ALA A 48 -4.614 2.171 6.774 1.00 0.00 C ATOM 698 C ALA A 48 -4.225 3.504 7.405 1.00 0.00 C ATOM 699 O ALA A 48 -4.319 4.553 6.768 1.00 0.00 O ATOM 700 CB ALA A 48 -5.952 1.696 7.321 1.00 0.00 C ATOM 0 H ALA A 48 -3.926 0.309 7.450 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.706 2.321 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.710 2.459 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.242 0.772 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.864 1.517 8.393 1.00 0.00 H new ATOM 706 N ALA A 49 -3.789 3.455 8.659 1.00 0.00 N ATOM 707 CA ALA A 49 -3.384 4.659 9.374 1.00 0.00 C ATOM 708 C ALA A 49 -2.122 5.261 8.767 1.00 0.00 C ATOM 709 O ALA A 49 -2.080 6.449 8.451 1.00 0.00 O ATOM 710 CB ALA A 49 -3.167 4.349 10.848 1.00 0.00 C ATOM 0 H ALA A 49 -3.707 2.595 9.201 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.185 5.393 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.865 5.257 11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.094 3.973 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.387 3.595 10.950 1.00 0.00 H new ATOM 716 N ALA A 50 -1.095 4.433 8.608 1.00 0.00 N ATOM 717 CA ALA A 50 0.168 4.884 8.037 1.00 0.00 C ATOM 718 C ALA A 50 -0.065 5.763 6.813 1.00 0.00 C ATOM 719 O ALA A 50 0.613 6.772 6.623 1.00 0.00 O ATOM 720 CB ALA A 50 1.039 3.690 7.674 1.00 0.00 C ATOM 0 H ALA A 50 -1.113 3.446 8.867 1.00 0.00 H new ATOM 0 HA ALA A 50 0.685 5.482 8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.979 4.041 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.243 3.103 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.520 3.070 6.944 1.00 0.00 H new ATOM 726 N ALA A 51 -1.028 5.372 5.984 1.00 0.00 N ATOM 727 CA ALA A 51 -1.351 6.125 4.779 1.00 0.00 C ATOM 728 C ALA A 51 -1.707 7.570 5.114 1.00 0.00 C ATOM 729 O ALA A 51 -1.212 8.503 4.482 1.00 0.00 O ATOM 730 CB ALA A 51 -2.495 5.458 4.030 1.00 0.00 C ATOM 0 H ALA A 51 -1.598 4.538 6.125 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.469 6.134 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.725 6.031 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.205 4.446 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.376 5.418 4.671 1.00 0.00 H new ATOM 736 N SER A 52 -2.569 7.747 6.110 1.00 0.00 N ATOM 737 CA SER A 52 -2.994 9.078 6.526 1.00 0.00 C ATOM 738 C SER A 52 -1.845 9.835 7.184 1.00 0.00 C ATOM 739 O SER A 52 -1.781 11.062 7.123 1.00 0.00 O ATOM 740 CB SER A 52 -4.176 8.980 7.492 1.00 0.00 C ATOM 741 OG SER A 52 -5.409 8.995 6.794 1.00 0.00 O ATOM 0 H SER A 52 -2.987 6.985 6.644 1.00 0.00 H new ATOM 0 HA SER A 52 -3.305 9.627 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.097 8.063 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.143 9.811 8.197 1.00 0.00 H new ATOM 0 HG SER A 52 -6.148 8.929 7.434 1.00 0.00 H new ATOM 747 N GLU A 53 -0.940 9.093 7.814 1.00 0.00 N ATOM 748 CA GLU A 53 0.207 9.693 8.485 1.00 0.00 C ATOM 749 C GLU A 53 1.297 10.055 7.481 1.00 0.00 C ATOM 750 O GLU A 53 2.133 10.921 7.740 1.00 0.00 O ATOM 751 CB GLU A 53 0.767 8.737 9.540 1.00 0.00 C ATOM 752 CG GLU A 53 2.037 9.241 10.205 1.00 0.00 C ATOM 753 CD GLU A 53 1.777 10.377 11.176 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.016 10.166 12.144 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.332 11.475 10.967 1.00 0.00 O ATOM 0 H GLU A 53 -0.979 8.075 7.874 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.129 10.607 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.009 8.569 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.969 7.773 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.516 8.418 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.736 9.576 9.438 1.00 0.00 H new ATOM 762 N VAL A 54 1.282 9.385 6.333 1.00 0.00 N ATOM 763 CA VAL A 54 2.268 9.636 5.289 1.00 0.00 C ATOM 764 C VAL A 54 1.810 10.752 4.357 1.00 0.00 C ATOM 765 O VAL A 54 2.596 11.622 3.978 1.00 0.00 O ATOM 766 CB VAL A 54 2.540 8.367 4.458 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.342 8.708 3.211 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.263 7.325 5.298 1.00 0.00 C ATOM 0 H VAL A 54 0.598 8.664 6.103 1.00 0.00 H new ATOM 0 HA VAL A 54 3.188 9.939 5.789 1.00 0.00 H new ATOM 0 HB VAL A 54 1.584 7.947 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.525 7.800 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.782 9.417 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.294 9.152 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.447 6.436 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.213 7.732 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.648 7.060 6.158 1.00 0.00 H new ATOM 778 N LYS A 55 0.534 10.722 3.990 1.00 0.00 N ATOM 779 CA LYS A 55 -0.032 11.732 3.103 1.00 0.00 C ATOM 780 C LYS A 55 -0.126 13.083 3.806 1.00 0.00 C ATOM 781 O LYS A 55 -0.283 14.118 3.161 1.00 0.00 O ATOM 782 CB LYS A 55 -1.418 11.299 2.620 1.00 0.00 C ATOM 783 CG LYS A 55 -2.538 11.666 3.578 1.00 0.00 C ATOM 784 CD LYS A 55 -3.904 11.429 2.956 1.00 0.00 C ATOM 785 CE LYS A 55 -4.984 12.237 3.660 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.516 11.527 4.856 1.00 0.00 N ATOM 0 H LYS A 55 -0.129 10.009 4.293 1.00 0.00 H new ATOM 0 HA LYS A 55 0.629 11.835 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.615 11.757 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.420 10.220 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.445 11.077 4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.444 12.714 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.876 11.699 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.150 10.368 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.577 13.202 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.799 12.438 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.249 12.110 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.927 10.617 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.743 11.358 5.531 1.00 0.00 H new ATOM 800 N GLU A 56 -0.027 13.062 5.132 1.00 0.00 N ATOM 801 CA GLU A 56 -0.101 14.286 5.921 1.00 0.00 C ATOM 802 C GLU A 56 1.287 14.885 6.128 1.00 0.00 C ATOM 803 O GLU A 56 1.452 16.105 6.143 1.00 0.00 O ATOM 804 CB GLU A 56 -0.754 14.007 7.277 1.00 0.00 C ATOM 805 CG GLU A 56 0.185 13.366 8.284 1.00 0.00 C ATOM 806 CD GLU A 56 -0.407 13.309 9.679 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.325 12.491 9.901 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.047 14.081 10.549 1.00 0.00 O ATOM 0 H GLU A 56 0.104 12.213 5.681 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.710 15.004 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.131 14.943 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.615 13.355 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.429 12.356 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.119 13.927 8.312 1.00 0.00 H new ATOM 815 N GLN A 57 2.282 14.018 6.286 1.00 0.00 N ATOM 816 CA GLN A 57 3.656 14.461 6.493 1.00 0.00 C ATOM 817 C GLN A 57 4.343 14.744 5.161 1.00 0.00 C ATOM 818 O GLN A 57 5.126 15.686 5.042 1.00 0.00 O ATOM 819 CB GLN A 57 4.442 13.406 7.272 1.00 0.00 C ATOM 820 CG GLN A 57 4.046 13.310 8.737 1.00 0.00 C ATOM 821 CD GLN A 57 4.949 12.382 9.526 1.00 0.00 C ATOM 822 OE1 GLN A 57 4.778 11.080 9.329 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.790 12.830 10.305 1.00 0.00 N flip ATOM 0 H GLN A 57 2.163 13.005 6.275 1.00 0.00 H new ATOM 0 HA GLN A 57 3.630 15.385 7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.296 12.434 6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.506 13.635 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.074 14.304 9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.017 12.958 8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.887 13.838 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.390 12.193 10.830 1.00 0.00 H new ATOM 832 N THR A 58 4.045 13.921 4.160 1.00 0.00 N ATOM 833 CA THR A 58 4.634 14.081 2.837 1.00 0.00 C ATOM 834 C THR A 58 3.796 15.014 1.971 1.00 0.00 C ATOM 835 O THR A 58 3.879 14.980 0.743 1.00 0.00 O ATOM 836 CB THR A 58 4.780 12.726 2.120 1.00 0.00 C ATOM 837 OG1 THR A 58 3.492 12.239 1.726 1.00 0.00 O ATOM 838 CG2 THR A 58 5.460 11.706 3.021 1.00 0.00 C ATOM 0 H THR A 58 3.398 13.136 4.241 1.00 0.00 H new ATOM 0 HA THR A 58 5.623 14.516 2.982 1.00 0.00 H new ATOM 0 HB THR A 58 5.399 12.874 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.094 11.732 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.552 10.757 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.452 12.066 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.865 11.563 3.923 1.00 0.00 H new ATOM 846 N LYS A 59 2.989 15.849 2.618 1.00 0.00 N ATOM 847 CA LYS A 59 2.137 16.794 1.908 1.00 0.00 C ATOM 848 C LYS A 59 1.282 16.079 0.865 1.00 0.00 C ATOM 849 O LYS A 59 0.948 16.648 -0.173 1.00 0.00 O ATOM 850 CB LYS A 59 2.987 17.872 1.233 1.00 0.00 C ATOM 851 CG LYS A 59 3.680 18.803 2.213 1.00 0.00 C ATOM 852 CD LYS A 59 2.698 19.771 2.851 1.00 0.00 C ATOM 853 CE LYS A 59 3.405 20.759 3.767 1.00 0.00 C ATOM 854 NZ LYS A 59 3.998 21.894 3.008 1.00 0.00 N ATOM 0 H LYS A 59 2.908 15.890 3.634 1.00 0.00 H new ATOM 0 HA LYS A 59 1.475 17.264 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.739 17.391 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.352 18.462 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.170 18.216 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.460 19.362 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.163 20.314 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.954 19.214 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.697 21.144 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.190 20.243 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.470 22.544 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.692 21.530 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.246 22.402 2.500 1.00 0.00 H new ATOM 868 N GLY A 60 0.931 14.829 1.151 1.00 0.00 N ATOM 869 CA GLY A 60 0.117 14.059 0.229 1.00 0.00 C ATOM 870 C GLY A 60 0.898 13.593 -0.984 1.00 0.00 C ATOM 871 O GLY A 60 0.315 13.227 -2.004 1.00 0.00 O ATOM 0 H GLY A 60 1.196 14.336 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.293 13.193 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.728 14.665 -0.098 1.00 0.00 H new ATOM 875 N LYS A 61 2.222 13.607 -0.874 1.00 0.00 N ATOM 876 CA LYS A 61 3.086 13.184 -1.969 1.00 0.00 C ATOM 877 C LYS A 61 3.135 11.662 -2.067 1.00 0.00 C ATOM 878 O LYS A 61 2.758 11.083 -3.085 1.00 0.00 O ATOM 879 CB LYS A 61 4.499 13.739 -1.776 1.00 0.00 C ATOM 880 CG LYS A 61 5.536 13.091 -2.677 1.00 0.00 C ATOM 881 CD LYS A 61 5.274 13.402 -4.141 1.00 0.00 C ATOM 882 CE LYS A 61 6.541 13.273 -4.973 1.00 0.00 C ATOM 883 NZ LYS A 61 6.281 13.509 -6.420 1.00 0.00 N ATOM 0 H LYS A 61 2.720 13.907 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 61 2.672 13.577 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.487 14.813 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.796 13.600 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.530 13.443 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.527 12.012 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.513 12.724 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.878 14.413 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.284 13.987 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.964 12.278 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.427 12.625 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.301 13.832 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.934 14.236 -6.776 1.00 0.00 H new ATOM 897 N VAL A 62 3.602 11.020 -1.000 1.00 0.00 N ATOM 898 CA VAL A 62 3.697 9.566 -0.964 1.00 0.00 C ATOM 899 C VAL A 62 2.357 8.935 -0.606 1.00 0.00 C ATOM 900 O VAL A 62 1.869 9.081 0.515 1.00 0.00 O ATOM 901 CB VAL A 62 4.759 9.098 0.048 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.936 7.589 -0.022 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.081 9.810 -0.199 1.00 0.00 C ATOM 0 H VAL A 62 3.920 11.485 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 62 3.991 9.244 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 62 4.417 9.353 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.690 7.277 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.989 7.101 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.255 7.306 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.820 9.467 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.431 9.588 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.940 10.886 -0.092 1.00 0.00 H new ATOM 913 N LYS A 63 1.764 8.233 -1.565 1.00 0.00 N ATOM 914 CA LYS A 63 0.479 7.577 -1.352 1.00 0.00 C ATOM 915 C LYS A 63 0.671 6.105 -1.003 1.00 0.00 C ATOM 916 O LYS A 63 1.619 5.466 -1.462 1.00 0.00 O ATOM 917 CB LYS A 63 -0.396 7.707 -2.600 1.00 0.00 C ATOM 918 CG LYS A 63 -0.637 9.144 -3.028 1.00 0.00 C ATOM 919 CD LYS A 63 -1.360 9.215 -4.362 1.00 0.00 C ATOM 920 CE LYS A 63 -2.841 8.902 -4.211 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.576 10.009 -3.539 1.00 0.00 N ATOM 0 H LYS A 63 2.153 8.103 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.018 8.068 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.075 7.166 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.356 7.227 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.225 9.657 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.316 9.667 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.239 10.210 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.908 8.511 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.276 8.721 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.961 7.984 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.600 9.863 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.335 10.022 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.307 10.916 -3.970 1.00 0.00 H new ATOM 935 N LEU A 64 -0.234 5.571 -0.191 1.00 0.00 N ATOM 936 CA LEU A 64 -0.165 4.172 0.218 1.00 0.00 C ATOM 937 C LEU A 64 -1.345 3.383 -0.340 1.00 0.00 C ATOM 938 O LEU A 64 -2.503 3.722 -0.096 1.00 0.00 O ATOM 939 CB LEU A 64 -0.143 4.067 1.744 1.00 0.00 C ATOM 940 CG LEU A 64 1.239 4.105 2.399 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.835 5.501 2.307 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.153 3.654 3.850 1.00 0.00 C ATOM 0 H LEU A 64 -1.025 6.085 0.198 1.00 0.00 H new ATOM 0 HA LEU A 64 0.755 3.747 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.740 4.882 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.634 3.137 2.032 1.00 0.00 H new ATOM 0 HG LEU A 64 1.893 3.417 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.818 5.509 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.932 5.787 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.183 6.210 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.145 3.687 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.483 4.317 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.769 2.635 3.892 1.00 0.00 H new ATOM 954 N ALA A 65 -1.043 2.328 -1.090 1.00 0.00 N ATOM 955 CA ALA A 65 -2.079 1.488 -1.679 1.00 0.00 C ATOM 956 C ALA A 65 -1.914 0.033 -1.252 1.00 0.00 C ATOM 957 O ALA A 65 -0.845 -0.373 -0.797 1.00 0.00 O ATOM 958 CB ALA A 65 -2.050 1.601 -3.196 1.00 0.00 C ATOM 0 H ALA A 65 -0.090 2.035 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.046 1.838 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.829 0.969 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.224 2.637 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.077 1.278 -3.566 1.00 0.00 H new ATOM 964 N ALA A 66 -2.980 -0.746 -1.400 1.00 0.00 N ATOM 965 CA ALA A 66 -2.953 -2.156 -1.031 1.00 0.00 C ATOM 966 C ALA A 66 -3.467 -3.032 -2.169 1.00 0.00 C ATOM 967 O ALA A 66 -4.288 -2.598 -2.978 1.00 0.00 O ATOM 968 CB ALA A 66 -3.775 -2.388 0.228 1.00 0.00 C ATOM 0 H ALA A 66 -3.873 -0.425 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.918 -2.434 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.746 -3.445 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.362 -1.798 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.807 -2.087 0.049 1.00 0.00 H new ATOM 974 N VAL A 67 -2.978 -4.267 -2.227 1.00 0.00 N ATOM 975 CA VAL A 67 -3.388 -5.203 -3.266 1.00 0.00 C ATOM 976 C VAL A 67 -3.552 -6.611 -2.703 1.00 0.00 C ATOM 977 O VAL A 67 -2.920 -6.971 -1.710 1.00 0.00 O ATOM 978 CB VAL A 67 -2.371 -5.240 -4.422 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.769 -6.286 -5.451 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.247 -3.867 -5.066 1.00 0.00 C ATOM 0 H VAL A 67 -2.297 -4.642 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.347 -4.852 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.397 -5.516 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.038 -6.297 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.802 -7.268 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.753 -6.044 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.524 -3.911 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.217 -3.560 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.911 -3.145 -4.322 1.00 0.00 H new ATOM 990 N ASP A 68 -4.404 -7.403 -3.345 1.00 0.00 N ATOM 991 CA ASP A 68 -4.650 -8.773 -2.910 1.00 0.00 C ATOM 992 C ASP A 68 -3.990 -9.770 -3.856 1.00 0.00 C ATOM 993 O ASP A 68 -4.451 -9.976 -4.978 1.00 0.00 O ATOM 994 CB ASP A 68 -6.154 -9.043 -2.832 1.00 0.00 C ATOM 995 CG ASP A 68 -6.500 -10.095 -1.797 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.584 -10.825 -1.362 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.687 -10.189 -1.421 1.00 0.00 O ATOM 0 H ASP A 68 -4.936 -7.120 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.214 -8.898 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.675 -8.116 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.513 -9.366 -3.809 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.906 -10.387 -3.395 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.183 -11.364 -4.199 1.00 0.00 C ATOM 1004 C ALA A 69 -3.118 -12.453 -4.713 1.00 0.00 C ATOM 1005 O ALA A 69 -2.775 -13.199 -5.631 1.00 0.00 O ATOM 1006 CB ALA A 69 -1.049 -11.977 -3.391 1.00 0.00 C ATOM 0 H ALA A 69 -2.510 -10.227 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.762 -10.847 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.518 -12.705 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.359 -11.193 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.457 -12.473 -2.510 1.00 0.00 H new ATOM 1012 N THR A 70 -4.303 -12.540 -4.116 1.00 0.00 N ATOM 1013 CA THR A 70 -5.287 -13.539 -4.512 1.00 0.00 C ATOM 1014 C THR A 70 -5.986 -13.139 -5.806 1.00 0.00 C ATOM 1015 O THR A 70 -6.425 -13.994 -6.576 1.00 0.00 O ATOM 1016 CB THR A 70 -6.347 -13.749 -3.414 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.153 -12.573 -3.279 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.688 -14.074 -2.082 1.00 0.00 C ATOM 0 H THR A 70 -4.604 -11.930 -3.356 1.00 0.00 H new ATOM 0 HA THR A 70 -4.745 -14.472 -4.668 1.00 0.00 H new ATOM 0 HB THR A 70 -6.978 -14.589 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.825 -12.715 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.456 -14.218 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.099 -14.986 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.036 -13.251 -1.788 1.00 0.00 H new ATOM 1026 N VAL A 71 -6.085 -11.835 -6.042 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.729 -11.322 -7.245 1.00 0.00 C ATOM 1028 C VAL A 71 -5.697 -10.813 -8.246 1.00 0.00 C ATOM 1029 O VAL A 71 -5.907 -10.879 -9.457 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.712 -10.183 -6.914 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.406 -9.693 -8.176 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.729 -10.642 -5.880 1.00 0.00 C ATOM 0 H VAL A 71 -5.727 -11.114 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.281 -12.151 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.149 -9.351 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.096 -8.889 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.661 -9.323 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.958 -10.516 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.416 -9.825 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.289 -11.491 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.212 -10.940 -4.968 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.582 -10.305 -7.732 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.517 -9.784 -8.581 1.00 0.00 C ATOM 1044 C ASN A 72 -2.523 -10.884 -8.943 1.00 0.00 C ATOM 1045 O ASN A 72 -1.767 -11.355 -8.093 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.790 -8.636 -7.877 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.420 -7.288 -8.170 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -2.846 -6.464 -8.881 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.607 -7.058 -7.620 1.00 0.00 N ATOM 0 H ASN A 72 -4.392 -10.243 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.969 -9.410 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.796 -8.811 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.747 -8.623 -8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.080 -6.169 -7.781 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.046 -7.771 -7.037 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.530 -11.287 -10.209 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.629 -12.331 -10.683 1.00 0.00 C ATOM 1058 C GLN A 73 -0.544 -11.747 -11.581 1.00 0.00 C ATOM 1059 O GLN A 73 0.599 -12.205 -11.569 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.412 -13.404 -11.442 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.464 -14.103 -10.595 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.923 -15.330 -9.888 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -2.341 -16.215 -10.515 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -3.114 -15.389 -8.575 1.00 0.00 N ATOM 0 H GLN A 73 -3.149 -10.907 -10.925 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.151 -12.785 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.897 -12.946 -12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.714 -14.148 -11.826 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.852 -13.404 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.301 -14.394 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.602 -14.632 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.773 -16.191 -8.046 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.909 -10.734 -12.360 1.00 0.00 N ATOM 1074 CA VAL A 74 0.034 -10.086 -13.264 1.00 0.00 C ATOM 1075 C VAL A 74 1.214 -9.497 -12.498 1.00 0.00 C ATOM 1076 O VAL A 74 2.362 -9.600 -12.930 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.645 -8.969 -14.078 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.351 -8.315 -15.023 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.838 -9.519 -14.845 1.00 0.00 C ATOM 0 H VAL A 74 -1.851 -10.344 -12.383 1.00 0.00 H new ATOM 0 HA VAL A 74 0.395 -10.854 -13.948 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.006 -8.208 -13.386 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.147 -7.528 -15.589 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.170 -7.884 -14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.745 -9.063 -15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.306 -8.716 -15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.503 -10.300 -15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.561 -9.935 -14.144 1.00 0.00 H new ATOM 1089 N LEU A 75 0.922 -8.879 -11.359 1.00 0.00 N ATOM 1090 CA LEU A 75 1.959 -8.273 -10.530 1.00 0.00 C ATOM 1091 C LEU A 75 2.663 -9.326 -9.682 1.00 0.00 C ATOM 1092 O LEU A 75 3.891 -9.410 -9.672 1.00 0.00 O ATOM 1093 CB LEU A 75 1.353 -7.196 -9.628 1.00 0.00 C ATOM 1094 CG LEU A 75 0.430 -6.188 -10.313 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.353 -5.393 -9.280 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.230 -5.256 -11.212 1.00 0.00 C ATOM 0 H LEU A 75 -0.023 -8.784 -10.988 1.00 0.00 H new ATOM 0 HA LEU A 75 2.695 -7.814 -11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.793 -7.689 -8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.167 -6.648 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.279 -6.737 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.004 -4.681 -9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.957 -6.073 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.340 -4.855 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.556 -4.546 -11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.963 -4.714 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.744 -5.840 -11.975 1.00 0.00 H new ATOM 1108 N ALA A 76 1.877 -10.129 -8.972 1.00 0.00 N ATOM 1109 CA ALA A 76 2.426 -11.180 -8.123 1.00 0.00 C ATOM 1110 C ALA A 76 3.316 -12.123 -8.924 1.00 0.00 C ATOM 1111 O ALA A 76 4.217 -12.758 -8.375 1.00 0.00 O ATOM 1112 CB ALA A 76 1.302 -11.955 -7.451 1.00 0.00 C ATOM 0 H ALA A 76 0.859 -10.072 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 76 3.039 -10.710 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.725 -12.737 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.708 -11.277 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.667 -12.408 -8.212 1.00 0.00 H new ATOM 1118 N SER A 77 3.059 -12.211 -10.225 1.00 0.00 N ATOM 1119 CA SER A 77 3.835 -13.081 -11.101 1.00 0.00 C ATOM 1120 C SER A 77 5.032 -12.336 -11.685 1.00 0.00 C ATOM 1121 O SER A 77 6.084 -12.926 -11.932 1.00 0.00 O ATOM 1122 CB SER A 77 2.955 -13.620 -12.231 1.00 0.00 C ATOM 1123 OG SER A 77 3.656 -14.569 -13.015 1.00 0.00 O ATOM 0 H SER A 77 2.319 -11.690 -10.696 1.00 0.00 H new ATOM 0 HA SER A 77 4.204 -13.917 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.060 -14.080 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.623 -12.796 -12.863 1.00 0.00 H new ATOM 0 HG SER A 77 3.072 -14.899 -13.729 1.00 0.00 H new ATOM 1129 N ARG A 78 4.863 -11.036 -11.903 1.00 0.00 N ATOM 1130 CA ARG A 78 5.927 -10.209 -12.459 1.00 0.00 C ATOM 1131 C ARG A 78 7.135 -10.178 -11.526 1.00 0.00 C ATOM 1132 O ARG A 78 8.279 -10.251 -11.974 1.00 0.00 O ATOM 1133 CB ARG A 78 5.422 -8.786 -12.704 1.00 0.00 C ATOM 1134 CG ARG A 78 6.449 -7.881 -13.364 1.00 0.00 C ATOM 1135 CD ARG A 78 5.822 -6.576 -13.832 1.00 0.00 C ATOM 1136 NE ARG A 78 6.541 -6.000 -14.965 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.410 -6.432 -16.215 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.592 -7.438 -16.490 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.097 -5.855 -17.192 1.00 0.00 N ATOM 0 H ARG A 78 3.999 -10.533 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 78 6.234 -10.646 -13.409 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.531 -8.828 -13.331 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.122 -8.347 -11.753 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.254 -7.668 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.897 -8.396 -14.214 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.784 -6.753 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.812 -5.862 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 78 7.178 -5.224 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.061 -7.883 -15.741 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.494 -7.767 -17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.726 -5.080 -16.984 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.996 -6.187 -18.151 1.00 0.00 H new ATOM 1153 N TYR A 79 6.871 -10.069 -10.229 1.00 0.00 N ATOM 1154 CA TYR A 79 7.935 -10.025 -9.234 1.00 0.00 C ATOM 1155 C TYR A 79 7.978 -11.318 -8.424 1.00 0.00 C ATOM 1156 O TYR A 79 9.003 -11.664 -7.839 1.00 0.00 O ATOM 1157 CB TYR A 79 7.738 -8.831 -8.298 1.00 0.00 C ATOM 1158 CG TYR A 79 7.553 -7.518 -9.024 1.00 0.00 C ATOM 1159 CD1 TYR A 79 6.320 -7.164 -9.558 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.611 -6.629 -9.175 1.00 0.00 C ATOM 1161 CE1 TYR A 79 6.146 -5.966 -10.223 1.00 0.00 C ATOM 1162 CE2 TYR A 79 8.446 -5.428 -9.837 1.00 0.00 C ATOM 1163 CZ TYR A 79 7.212 -5.101 -10.359 1.00 0.00 C ATOM 1164 OH TYR A 79 7.042 -3.906 -11.020 1.00 0.00 O ATOM 0 H TYR A 79 5.929 -10.009 -9.842 1.00 0.00 H new ATOM 0 HA TYR A 79 8.884 -9.914 -9.759 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.868 -9.014 -7.667 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.600 -8.752 -7.636 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.483 -7.838 -9.451 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.579 -6.882 -8.768 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.181 -5.708 -10.634 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.279 -4.749 -9.945 1.00 0.00 H new ATOM 0 HH TYR A 79 6.118 -3.599 -10.909 1.00 0.00 H new ATOM 1174 N GLY A 80 6.854 -12.029 -8.397 1.00 0.00 N ATOM 1175 CA GLY A 80 6.783 -13.275 -7.658 1.00 0.00 C ATOM 1176 C GLY A 80 6.343 -13.074 -6.221 1.00 0.00 C ATOM 1177 O GLY A 80 6.974 -13.582 -5.295 1.00 0.00 O ATOM 0 H GLY A 80 5.992 -11.764 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.087 -13.950 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.760 -13.758 -7.671 1.00 0.00 H new ATOM 1181 N ILE A 81 5.259 -12.328 -6.036 1.00 0.00 N ATOM 1182 CA ILE A 81 4.736 -12.060 -4.702 1.00 0.00 C ATOM 1183 C ILE A 81 4.039 -13.289 -4.127 1.00 0.00 C ATOM 1184 O ILE A 81 2.910 -13.606 -4.500 1.00 0.00 O ATOM 1185 CB ILE A 81 3.745 -10.881 -4.712 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.393 -9.648 -5.346 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.276 -10.571 -3.299 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.523 -9.068 -4.523 1.00 0.00 C ATOM 0 H ILE A 81 4.726 -11.899 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 81 5.590 -11.802 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 81 2.877 -11.160 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.772 -9.914 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.631 -8.882 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.576 -9.736 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.781 -11.447 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.134 -10.308 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.935 -8.197 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.145 -8.771 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.304 -9.818 -4.398 1.00 0.00 H new ATOM 1200 N ARG A 82 4.720 -13.976 -3.216 1.00 0.00 N ATOM 1201 CA ARG A 82 4.167 -15.170 -2.589 1.00 0.00 C ATOM 1202 C ARG A 82 4.213 -15.056 -1.068 1.00 0.00 C ATOM 1203 O ARG A 82 3.403 -15.659 -0.365 1.00 0.00 O ATOM 1204 CB ARG A 82 4.936 -16.413 -3.041 1.00 0.00 C ATOM 1205 CG ARG A 82 4.883 -16.650 -4.542 1.00 0.00 C ATOM 1206 CD ARG A 82 6.077 -17.460 -5.021 1.00 0.00 C ATOM 1207 NE ARG A 82 7.224 -16.611 -5.334 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.465 -17.068 -5.454 1.00 0.00 C ATOM 1209 NH1 ARG A 82 8.719 -18.359 -5.287 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.456 -16.233 -5.741 1.00 0.00 N ATOM 0 H ARG A 82 5.656 -13.726 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 82 3.126 -15.263 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.977 -16.317 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.531 -17.286 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.961 -17.173 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.860 -15.692 -5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.358 -18.180 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.796 -18.031 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 82 7.063 -15.613 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.960 -19.004 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.673 -18.707 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.265 -15.239 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.409 -16.585 -5.833 1.00 0.00 H new ATOM 1224 N GLY A 83 5.168 -14.279 -0.566 1.00 0.00 N ATOM 1225 CA GLY A 83 5.302 -14.100 0.868 1.00 0.00 C ATOM 1226 C GLY A 83 4.706 -12.792 1.348 1.00 0.00 C ATOM 1227 O GLY A 83 5.338 -11.740 1.249 1.00 0.00 O ATOM 0 H GLY A 83 5.851 -13.770 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.813 -14.928 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.357 -14.135 1.138 1.00 0.00 H new ATOM 1231 N PHE A 84 3.485 -12.855 1.868 1.00 0.00 N ATOM 1232 CA PHE A 84 2.802 -11.666 2.362 1.00 0.00 C ATOM 1233 C PHE A 84 2.906 -11.571 3.882 1.00 0.00 C ATOM 1234 O PHE A 84 3.057 -12.572 4.582 1.00 0.00 O ATOM 1235 CB PHE A 84 1.331 -11.683 1.940 1.00 0.00 C ATOM 1236 CG PHE A 84 1.085 -12.422 0.656 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.028 -12.407 -0.359 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.089 -13.132 0.464 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.804 -13.085 -1.542 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.319 -13.812 -0.717 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.629 -13.790 -1.721 1.00 0.00 C ATOM 0 H PHE A 84 2.948 -13.718 1.958 1.00 0.00 H new ATOM 0 HA PHE A 84 3.287 -10.792 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.739 -12.141 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.980 -10.657 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.949 -11.859 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.833 -13.154 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.547 -13.064 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.239 -14.360 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.452 -14.323 -2.644 1.00 0.00 H new ATOM 1251 N PRO A 85 2.822 -10.339 4.404 1.00 0.00 N ATOM 1252 CA PRO A 85 2.642 -9.140 3.580 1.00 0.00 C ATOM 1253 C PRO A 85 3.882 -8.812 2.755 1.00 0.00 C ATOM 1254 O PRO A 85 4.975 -9.307 3.033 1.00 0.00 O ATOM 1255 CB PRO A 85 2.379 -8.038 4.610 1.00 0.00 C ATOM 1256 CG PRO A 85 3.031 -8.523 5.859 1.00 0.00 C ATOM 1257 CD PRO A 85 2.898 -10.020 5.840 1.00 0.00 C ATOM 0 HA PRO A 85 1.840 -9.263 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.800 -7.086 4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.311 -7.880 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.079 -8.225 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.550 -8.099 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.751 -10.505 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.006 -10.351 6.373 1.00 0.00 H new ATOM 1265 N THR A 86 3.705 -7.975 1.737 1.00 0.00 N ATOM 1266 CA THR A 86 4.809 -7.582 0.871 1.00 0.00 C ATOM 1267 C THR A 86 4.753 -6.092 0.551 1.00 0.00 C ATOM 1268 O THR A 86 3.923 -5.649 -0.243 1.00 0.00 O ATOM 1269 CB THR A 86 4.800 -8.379 -0.447 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.911 -9.780 -0.173 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.943 -7.943 -1.351 1.00 0.00 C ATOM 0 H THR A 86 2.807 -7.557 1.493 1.00 0.00 H new ATOM 0 HA THR A 86 5.729 -7.800 1.413 1.00 0.00 H new ATOM 0 HB THR A 86 3.858 -8.182 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.269 -9.909 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.916 -8.520 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.840 -6.883 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.893 -8.114 -0.844 1.00 0.00 H new ATOM 1279 N ILE A 87 5.642 -5.325 1.172 1.00 0.00 N ATOM 1280 CA ILE A 87 5.694 -3.885 0.951 1.00 0.00 C ATOM 1281 C ILE A 87 6.767 -3.524 -0.071 1.00 0.00 C ATOM 1282 O ILE A 87 7.958 -3.723 0.165 1.00 0.00 O ATOM 1283 CB ILE A 87 5.973 -3.124 2.261 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.930 -3.488 3.319 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.981 -1.623 2.010 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.398 -3.244 4.737 1.00 0.00 C ATOM 0 H ILE A 87 6.336 -5.676 1.832 1.00 0.00 H new ATOM 0 HA ILE A 87 4.717 -3.589 0.569 1.00 0.00 H new ATOM 0 HB ILE A 87 6.956 -3.415 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.024 -2.909 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.664 -4.539 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.179 -1.099 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.758 -1.379 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.011 -1.314 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.608 -3.524 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.286 -3.844 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.637 -2.188 4.865 1.00 0.00 H new ATOM 1298 N LYS A 88 6.336 -2.990 -1.209 1.00 0.00 N ATOM 1299 CA LYS A 88 7.258 -2.598 -2.268 1.00 0.00 C ATOM 1300 C LYS A 88 7.008 -1.156 -2.700 1.00 0.00 C ATOM 1301 O LYS A 88 5.864 -0.749 -2.903 1.00 0.00 O ATOM 1302 CB LYS A 88 7.114 -3.534 -3.471 1.00 0.00 C ATOM 1303 CG LYS A 88 7.330 -4.998 -3.130 1.00 0.00 C ATOM 1304 CD LYS A 88 8.788 -5.396 -3.280 1.00 0.00 C ATOM 1305 CE LYS A 88 8.932 -6.873 -3.616 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.291 -7.387 -3.290 1.00 0.00 N ATOM 0 H LYS A 88 5.353 -2.819 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 88 8.273 -2.672 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.119 -3.412 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.829 -3.239 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.004 -5.186 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.714 -5.619 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.251 -4.797 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.322 -5.179 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.186 -7.445 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.731 -7.025 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.322 -8.414 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.994 -6.918 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.507 -7.189 -2.292 1.00 0.00 H new ATOM 1320 N ILE A 89 8.085 -0.391 -2.841 1.00 0.00 N ATOM 1321 CA ILE A 89 7.982 1.004 -3.251 1.00 0.00 C ATOM 1322 C ILE A 89 8.373 1.177 -4.715 1.00 0.00 C ATOM 1323 O ILE A 89 9.381 0.633 -5.168 1.00 0.00 O ATOM 1324 CB ILE A 89 8.871 1.914 -2.383 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.457 1.815 -0.913 1.00 0.00 C ATOM 1326 CG2 ILE A 89 8.787 3.354 -2.867 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.019 0.601 -0.208 1.00 0.00 C ATOM 0 H ILE A 89 9.039 -0.713 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 89 6.940 1.295 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 89 9.905 1.581 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.785 2.713 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.369 1.790 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.421 3.985 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.125 3.410 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.755 3.700 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.685 0.596 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.670 -0.303 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.108 0.634 -0.238 1.00 0.00 H new ATOM 1339 N PHE A 90 7.570 1.939 -5.451 1.00 0.00 N ATOM 1340 CA PHE A 90 7.833 2.184 -6.864 1.00 0.00 C ATOM 1341 C PHE A 90 7.950 3.680 -7.143 1.00 0.00 C ATOM 1342 O PHE A 90 7.027 4.446 -6.870 1.00 0.00 O ATOM 1343 CB PHE A 90 6.721 1.579 -7.723 1.00 0.00 C ATOM 1344 CG PHE A 90 6.630 0.084 -7.620 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.914 -0.511 -6.593 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.261 -0.728 -8.549 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.828 -1.887 -6.495 1.00 0.00 C ATOM 1348 CE2 PHE A 90 7.178 -2.104 -8.457 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.462 -2.685 -7.428 1.00 0.00 C ATOM 0 H PHE A 90 6.732 2.397 -5.092 1.00 0.00 H new ATOM 0 HA PHE A 90 8.780 1.709 -7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.767 2.014 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.887 1.854 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.417 0.108 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.824 -0.280 -9.354 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.266 -2.338 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.673 -2.725 -9.189 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.398 -3.760 -7.353 1.00 0.00 H new ATOM 1359 N GLN A 91 9.093 4.086 -7.688 1.00 0.00 N ATOM 1360 CA GLN A 91 9.332 5.489 -8.003 1.00 0.00 C ATOM 1361 C GLN A 91 9.244 5.732 -9.506 1.00 0.00 C ATOM 1362 O GLN A 91 9.426 4.815 -10.306 1.00 0.00 O ATOM 1363 CB GLN A 91 10.703 5.924 -7.484 1.00 0.00 C ATOM 1364 CG GLN A 91 10.691 6.367 -6.029 1.00 0.00 C ATOM 1365 CD GLN A 91 12.060 6.287 -5.383 1.00 0.00 C ATOM 1366 OE1 GLN A 91 13.081 6.242 -6.069 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.088 6.270 -4.056 1.00 0.00 N ATOM 0 H GLN A 91 9.867 3.463 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 91 8.561 6.082 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.404 5.097 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.073 6.743 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.324 7.392 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.993 5.745 -5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.217 6.309 -3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.981 6.218 -3.565 1.00 0.00 H new ATOM 1376 N LYS A 92 8.963 6.975 -9.884 1.00 0.00 N ATOM 1377 CA LYS A 92 8.851 7.341 -11.291 1.00 0.00 C ATOM 1378 C LYS A 92 10.220 7.343 -11.963 1.00 0.00 C ATOM 1379 O LYS A 92 11.102 8.117 -11.594 1.00 0.00 O ATOM 1380 CB LYS A 92 8.200 8.719 -11.431 1.00 0.00 C ATOM 1381 CG LYS A 92 7.974 9.141 -12.872 1.00 0.00 C ATOM 1382 CD LYS A 92 6.615 8.687 -13.379 1.00 0.00 C ATOM 1383 CE LYS A 92 6.658 8.348 -14.861 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.350 8.603 -15.526 1.00 0.00 N ATOM 0 H LYS A 92 8.809 7.746 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 92 8.224 6.598 -11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.244 8.715 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.829 9.460 -10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.049 10.226 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.758 8.721 -13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.288 7.814 -12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.880 9.473 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.434 8.940 -15.347 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.931 7.300 -14.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.383 8.250 -16.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.595 8.112 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.158 9.625 -15.533 1.00 0.00 H new ATOM 1398 N GLY A 93 10.390 6.472 -12.953 1.00 0.00 N ATOM 1399 CA GLY A 93 11.654 6.391 -13.662 1.00 0.00 C ATOM 1400 C GLY A 93 12.693 5.588 -12.904 1.00 0.00 C ATOM 1401 O GLY A 93 13.457 4.831 -13.502 1.00 0.00 O ATOM 0 H GLY A 93 9.675 5.821 -13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.490 5.937 -14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.034 7.397 -13.837 1.00 0.00 H new ATOM 1405 N GLU A 94 12.722 5.754 -11.586 1.00 0.00 N ATOM 1406 CA GLU A 94 13.677 5.039 -10.747 1.00 0.00 C ATOM 1407 C GLU A 94 13.251 3.587 -10.554 1.00 0.00 C ATOM 1408 O GLU A 94 12.074 3.252 -10.682 1.00 0.00 O ATOM 1409 CB GLU A 94 13.811 5.728 -9.388 1.00 0.00 C ATOM 1410 CG GLU A 94 14.179 7.199 -9.484 1.00 0.00 C ATOM 1411 CD GLU A 94 15.678 7.425 -9.511 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.387 6.631 -10.164 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.142 8.397 -8.879 1.00 0.00 O ATOM 0 H GLU A 94 12.096 6.377 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 94 14.644 5.052 -11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.869 5.632 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.569 5.210 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.735 7.623 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.750 7.733 -8.636 1.00 0.00 H new ATOM 1420 N SER A 95 14.218 2.729 -10.245 1.00 0.00 N ATOM 1421 CA SER A 95 13.945 1.311 -10.039 1.00 0.00 C ATOM 1422 C SER A 95 13.262 1.080 -8.694 1.00 0.00 C ATOM 1423 O SER A 95 13.555 1.742 -7.698 1.00 0.00 O ATOM 1424 CB SER A 95 15.243 0.505 -10.109 1.00 0.00 C ATOM 1425 OG SER A 95 14.999 -0.815 -10.564 1.00 0.00 O ATOM 0 H SER A 95 15.197 2.991 -10.132 1.00 0.00 H new ATOM 0 HA SER A 95 13.274 0.976 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.946 1.000 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.709 0.473 -9.124 1.00 0.00 H new ATOM 0 HG SER A 95 15.844 -1.309 -10.602 1.00 0.00 H new ATOM 1431 N PRO A 96 12.328 0.118 -8.664 1.00 0.00 N ATOM 1432 CA PRO A 96 11.584 -0.225 -7.448 1.00 0.00 C ATOM 1433 C PRO A 96 12.461 -0.907 -6.404 1.00 0.00 C ATOM 1434 O PRO A 96 13.463 -1.540 -6.737 1.00 0.00 O ATOM 1435 CB PRO A 96 10.506 -1.188 -7.952 1.00 0.00 C ATOM 1436 CG PRO A 96 11.080 -1.785 -9.190 1.00 0.00 C ATOM 1437 CD PRO A 96 11.928 -0.711 -9.813 1.00 0.00 C ATOM 0 HA PRO A 96 11.187 0.660 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.282 -1.954 -7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.573 -0.664 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.676 -2.667 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.291 -2.104 -9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.793 -1.130 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.369 -0.134 -10.549 1.00 0.00 H new ATOM 1445 N VAL A 97 12.078 -0.774 -5.138 1.00 0.00 N ATOM 1446 CA VAL A 97 12.829 -1.378 -4.044 1.00 0.00 C ATOM 1447 C VAL A 97 11.961 -2.351 -3.253 1.00 0.00 C ATOM 1448 O VAL A 97 10.766 -2.487 -3.516 1.00 0.00 O ATOM 1449 CB VAL A 97 13.385 -0.308 -3.086 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.740 0.187 -3.568 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.404 0.846 -2.950 1.00 0.00 C ATOM 0 H VAL A 97 11.252 -0.253 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 97 13.661 -1.920 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 97 13.518 -0.759 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.118 0.942 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.439 -0.648 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.636 0.622 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.813 1.593 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.237 1.299 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.458 0.475 -2.555 1.00 0.00 H new ATOM 1461 N ASP A 98 12.570 -3.024 -2.284 1.00 0.00 N ATOM 1462 CA ASP A 98 11.852 -3.984 -1.452 1.00 0.00 C ATOM 1463 C ASP A 98 11.926 -3.589 0.019 1.00 0.00 C ATOM 1464 O ASP A 98 12.978 -3.698 0.650 1.00 0.00 O ATOM 1465 CB ASP A 98 12.426 -5.388 -1.646 1.00 0.00 C ATOM 1466 CG ASP A 98 12.166 -6.289 -0.455 1.00 0.00 C ATOM 1467 OD1 ASP A 98 12.839 -6.112 0.582 1.00 0.00 O ATOM 1468 OD2 ASP A 98 11.289 -7.173 -0.560 1.00 0.00 O ATOM 0 H ASP A 98 13.559 -2.923 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 98 10.806 -3.983 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.989 -5.836 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.500 -5.318 -1.817 1.00 0.00 H new ATOM 1473 N TYR A 99 10.803 -3.130 0.560 1.00 0.00 N ATOM 1474 CA TYR A 99 10.740 -2.716 1.957 1.00 0.00 C ATOM 1475 C TYR A 99 10.736 -3.927 2.885 1.00 0.00 C ATOM 1476 O TYR A 99 9.788 -4.712 2.895 1.00 0.00 O ATOM 1477 CB TYR A 99 9.492 -1.867 2.203 1.00 0.00 C ATOM 1478 CG TYR A 99 9.400 -1.320 3.610 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.896 -2.095 4.647 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.819 -0.027 3.902 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.810 -1.599 5.933 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.738 0.477 5.186 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.232 -0.313 6.198 1.00 0.00 C ATOM 1484 OH TYR A 99 9.149 0.185 7.478 1.00 0.00 O ATOM 0 H TYR A 99 9.923 -3.035 0.052 1.00 0.00 H new ATOM 0 HA TYR A 99 11.626 -2.119 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.483 -1.036 1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.607 -2.469 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.566 -3.103 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.215 0.594 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.414 -2.215 6.727 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.069 1.483 5.396 1.00 0.00 H new ATOM 0 HH TYR A 99 9.488 1.104 7.494 1.00 0.00 H new ATOM 1544 N THR A 104 4.640 -1.842 11.253 1.00 0.00 N ATOM 1545 CA THR A 104 3.841 -0.921 12.052 1.00 0.00 C ATOM 1546 C THR A 104 3.801 0.465 11.418 1.00 0.00 C ATOM 1547 O THR A 104 4.835 1.013 11.036 1.00 0.00 O ATOM 1548 CB THR A 104 4.388 -0.802 13.487 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.760 -0.394 13.455 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.264 -2.126 14.225 1.00 0.00 C ATOM 0 HA THR A 104 2.831 -1.329 12.089 1.00 0.00 H new ATOM 0 HB THR A 104 3.799 -0.053 14.016 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.187 -0.744 12.645 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.657 -2.017 15.236 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.215 -2.419 14.273 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.831 -2.892 13.696 1.00 0.00 H new ATOM 1558 N ARG A 105 2.601 1.027 11.310 1.00 0.00 N ATOM 1559 CA ARG A 105 2.427 2.349 10.722 1.00 0.00 C ATOM 1560 C ARG A 105 3.597 3.261 11.080 1.00 0.00 C ATOM 1561 O ARG A 105 3.988 4.124 10.294 1.00 0.00 O ATOM 1562 CB ARG A 105 1.115 2.974 11.199 1.00 0.00 C ATOM 1563 CG ARG A 105 1.203 3.593 12.585 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.163 3.670 13.248 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.085 4.223 14.598 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.064 4.124 15.490 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.189 3.495 15.178 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.919 4.654 16.698 1.00 0.00 N ATOM 0 H ARG A 105 1.735 0.587 11.622 1.00 0.00 H new ATOM 0 HA ARG A 105 2.395 2.236 9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.808 3.740 10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.338 2.210 11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.877 3.003 13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.630 4.593 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.826 4.286 12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.603 2.674 13.289 1.00 0.00 H new ATOM 0 HE ARG A 105 0.768 4.712 14.870 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.304 3.086 14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.939 3.421 15.865 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.055 5.138 16.942 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.672 4.577 17.382 1.00 0.00 H new ATOM 1582 N SER A 106 4.151 3.064 12.272 1.00 0.00 N ATOM 1583 CA SER A 106 5.273 3.872 12.737 1.00 0.00 C ATOM 1584 C SER A 106 6.440 3.796 11.756 1.00 0.00 C ATOM 1585 O SER A 106 6.884 4.813 11.223 1.00 0.00 O ATOM 1586 CB SER A 106 5.726 3.406 14.122 1.00 0.00 C ATOM 1587 OG SER A 106 4.809 3.815 15.122 1.00 0.00 O ATOM 0 H SER A 106 3.841 2.352 12.933 1.00 0.00 H new ATOM 0 HA SER A 106 4.941 4.908 12.801 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.819 2.320 14.131 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.713 3.812 14.341 1.00 0.00 H new ATOM 0 HG SER A 106 5.120 3.504 15.998 1.00 0.00 H new ATOM 1593 N ASP A 107 6.931 2.584 11.524 1.00 0.00 N ATOM 1594 CA ASP A 107 8.045 2.373 10.607 1.00 0.00 C ATOM 1595 C ASP A 107 7.654 2.749 9.181 1.00 0.00 C ATOM 1596 O ASP A 107 8.305 3.579 8.547 1.00 0.00 O ATOM 1597 CB ASP A 107 8.505 0.915 10.656 1.00 0.00 C ATOM 1598 CG ASP A 107 9.377 0.623 11.860 1.00 0.00 C ATOM 1599 OD1 ASP A 107 9.034 1.087 12.968 1.00 0.00 O ATOM 1600 OD2 ASP A 107 10.402 -0.071 11.696 1.00 0.00 O ATOM 0 H ASP A 107 6.575 1.732 11.958 1.00 0.00 H new ATOM 0 HA ASP A 107 8.868 3.016 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.632 0.262 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.057 0.681 9.746 1.00 0.00 H new ATOM 1605 N ILE A 108 6.588 2.131 8.683 1.00 0.00 N ATOM 1606 CA ILE A 108 6.111 2.401 7.333 1.00 0.00 C ATOM 1607 C ILE A 108 6.112 3.897 7.038 1.00 0.00 C ATOM 1608 O ILE A 108 6.511 4.328 5.956 1.00 0.00 O ATOM 1609 CB ILE A 108 4.690 1.847 7.116 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.673 0.332 7.324 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.190 2.202 5.724 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.319 -0.206 7.733 1.00 0.00 C ATOM 0 H ILE A 108 6.039 1.440 9.194 1.00 0.00 H new ATOM 0 HA ILE A 108 6.796 1.898 6.650 1.00 0.00 H new ATOM 0 HB ILE A 108 4.022 2.303 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.986 -0.157 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.405 0.070 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.185 1.804 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.170 3.286 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.857 1.771 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.381 -1.286 7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.013 0.255 8.672 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.587 0.025 6.959 1.00 0.00 H new ATOM 1624 N VAL A 109 5.663 4.686 8.009 1.00 0.00 N ATOM 1625 CA VAL A 109 5.615 6.135 7.856 1.00 0.00 C ATOM 1626 C VAL A 109 7.014 6.739 7.898 1.00 0.00 C ATOM 1627 O VAL A 109 7.365 7.578 7.067 1.00 0.00 O ATOM 1628 CB VAL A 109 4.753 6.787 8.953 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.773 8.302 8.818 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.328 6.258 8.895 1.00 0.00 C ATOM 0 H VAL A 109 5.327 4.346 8.910 1.00 0.00 H new ATOM 0 HA VAL A 109 5.165 6.336 6.884 1.00 0.00 H new ATOM 0 HB VAL A 109 5.174 6.527 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.158 8.745 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.797 8.662 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.377 8.586 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.733 6.729 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.894 6.487 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.334 5.178 9.045 1.00 0.00 H new ATOM 1640 N SER A 110 7.810 6.308 8.871 1.00 0.00 N ATOM 1641 CA SER A 110 9.171 6.809 9.024 1.00 0.00 C ATOM 1642 C SER A 110 9.923 6.752 7.698 1.00 0.00 C ATOM 1643 O SER A 110 10.587 7.713 7.307 1.00 0.00 O ATOM 1644 CB SER A 110 9.920 5.996 10.083 1.00 0.00 C ATOM 1645 OG SER A 110 11.194 6.557 10.349 1.00 0.00 O ATOM 0 H SER A 110 7.536 5.613 9.565 1.00 0.00 H new ATOM 0 HA SER A 110 9.115 7.849 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.335 5.963 11.002 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.036 4.967 9.742 1.00 0.00 H new ATOM 0 HG SER A 110 11.652 6.021 11.030 1.00 0.00 H new ATOM 1651 N ARG A 111 9.813 5.621 7.010 1.00 0.00 N ATOM 1652 CA ARG A 111 10.482 5.438 5.728 1.00 0.00 C ATOM 1653 C ARG A 111 9.898 6.370 4.671 1.00 0.00 C ATOM 1654 O ARG A 111 10.617 7.156 4.056 1.00 0.00 O ATOM 1655 CB ARG A 111 10.358 3.985 5.266 1.00 0.00 C ATOM 1656 CG ARG A 111 11.511 3.523 4.389 1.00 0.00 C ATOM 1657 CD ARG A 111 11.555 4.292 3.078 1.00 0.00 C ATOM 1658 NE ARG A 111 12.621 3.817 2.201 1.00 0.00 N ATOM 1659 CZ ARG A 111 12.515 2.738 1.432 1.00 0.00 C ATOM 1660 NH1 ARG A 111 11.396 2.028 1.433 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.530 2.369 0.661 1.00 0.00 N ATOM 0 H ARG A 111 9.267 4.817 7.319 1.00 0.00 H new ATOM 0 HA ARG A 111 11.536 5.682 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.297 3.338 6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.424 3.866 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 111 12.452 3.657 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.410 2.457 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.596 4.195 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.701 5.352 3.284 1.00 0.00 H new ATOM 0 HE ARG A 111 13.495 4.342 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.614 2.309 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.317 1.200 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.393 2.913 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.448 1.541 0.071 1.00 0.00 H new ATOM 1675 N ALA A 112 8.588 6.276 4.465 1.00 0.00 N ATOM 1676 CA ALA A 112 7.907 7.111 3.484 1.00 0.00 C ATOM 1677 C ALA A 112 8.458 8.533 3.496 1.00 0.00 C ATOM 1678 O ALA A 112 8.549 9.183 2.454 1.00 0.00 O ATOM 1679 CB ALA A 112 6.408 7.121 3.750 1.00 0.00 C ATOM 0 H ALA A 112 7.978 5.630 4.965 1.00 0.00 H new ATOM 0 HA ALA A 112 8.087 6.688 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.911 7.749 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.020 6.105 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.218 7.517 4.748 1.00 0.00 H new ATOM 1685 N LEU A 113 8.823 9.010 4.681 1.00 0.00 N ATOM 1686 CA LEU A 113 9.365 10.357 4.829 1.00 0.00 C ATOM 1687 C LEU A 113 10.699 10.490 4.100 1.00 0.00 C ATOM 1688 O LEU A 113 10.928 11.459 3.377 1.00 0.00 O ATOM 1689 CB LEU A 113 9.544 10.696 6.310 1.00 0.00 C ATOM 1690 CG LEU A 113 8.292 11.177 7.044 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.543 11.239 8.543 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.855 12.536 6.518 1.00 0.00 C ATOM 0 H LEU A 113 8.754 8.485 5.553 1.00 0.00 H new ATOM 0 HA LEU A 113 8.658 11.058 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.923 9.811 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.310 11.467 6.396 1.00 0.00 H new ATOM 0 HG LEU A 113 7.489 10.463 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.641 11.583 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.808 10.247 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.360 11.931 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.963 12.863 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.655 13.260 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.634 12.460 5.453 1.00 0.00 H new ATOM 1704 N ASP A 114 11.574 9.509 4.295 1.00 0.00 N ATOM 1705 CA ASP A 114 12.883 9.515 3.653 1.00 0.00 C ATOM 1706 C ASP A 114 12.749 9.689 2.144 1.00 0.00 C ATOM 1707 O ASP A 114 13.474 10.474 1.531 1.00 0.00 O ATOM 1708 CB ASP A 114 13.633 8.218 3.965 1.00 0.00 C ATOM 1709 CG ASP A 114 15.138 8.391 3.907 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.601 9.324 3.218 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.852 7.594 4.550 1.00 0.00 O ATOM 0 H ASP A 114 11.400 8.700 4.892 1.00 0.00 H new ATOM 0 HA ASP A 114 13.450 10.358 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.349 7.867 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.331 7.448 3.255 1.00 0.00 H new ATOM 1716 N LEU A 115 11.817 8.952 1.549 1.00 0.00 N ATOM 1717 CA LEU A 115 11.587 9.024 0.110 1.00 0.00 C ATOM 1718 C LEU A 115 10.874 10.319 -0.263 1.00 0.00 C ATOM 1719 O LEU A 115 11.184 10.940 -1.280 1.00 0.00 O ATOM 1720 CB LEU A 115 10.764 7.822 -0.355 1.00 0.00 C ATOM 1721 CG LEU A 115 11.166 6.467 0.228 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.041 5.458 0.058 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.442 5.961 -0.429 1.00 0.00 C ATOM 0 H LEU A 115 11.208 8.298 2.041 1.00 0.00 H new ATOM 0 HA LEU A 115 12.556 9.008 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.718 8.006 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.829 7.761 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 115 11.355 6.593 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.345 4.500 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.151 5.815 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.820 5.335 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.713 4.996 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.280 5.851 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.248 6.674 -0.255 1.00 0.00 H new ATOM 1735 N PHE A 116 9.918 10.722 0.567 1.00 0.00 N ATOM 1736 CA PHE A 116 9.160 11.945 0.325 1.00 0.00 C ATOM 1737 C PHE A 116 10.078 13.069 -0.147 1.00 0.00 C ATOM 1738 O PHE A 116 9.994 13.515 -1.291 1.00 0.00 O ATOM 1739 CB PHE A 116 8.422 12.373 1.596 1.00 0.00 C ATOM 1740 CG PHE A 116 8.018 13.820 1.596 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.158 14.312 0.628 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.499 14.687 2.564 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.786 15.643 0.625 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.129 16.019 2.566 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.271 16.497 1.596 1.00 0.00 C ATOM 0 H PHE A 116 9.649 10.220 1.413 1.00 0.00 H new ATOM 0 HA PHE A 116 8.431 11.742 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.532 11.755 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 116 9.060 12.182 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.774 13.648 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.170 14.318 3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 116 6.116 16.015 -0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.511 16.685 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.980 17.537 1.596 1.00 0.00 H new ATOM 1755 N SER A 117 10.954 13.523 0.744 1.00 0.00 N ATOM 1756 CA SER A 117 11.885 14.598 0.421 1.00 0.00 C ATOM 1757 C SER A 117 12.578 14.334 -0.912 1.00 0.00 C ATOM 1758 O SER A 117 12.518 15.153 -1.828 1.00 0.00 O ATOM 1759 CB SER A 117 12.928 14.748 1.531 1.00 0.00 C ATOM 1760 OG SER A 117 13.547 16.022 1.480 1.00 0.00 O ATOM 0 H SER A 117 11.038 13.163 1.695 1.00 0.00 H new ATOM 0 HA SER A 117 11.317 15.525 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.453 14.610 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.684 13.969 1.432 1.00 0.00 H new ATOM 0 HG SER A 117 14.208 16.094 2.200 1.00 0.00 H new ATOM 1766 N ASP A 118 13.237 13.185 -1.011 1.00 0.00 N ATOM 1767 CA ASP A 118 13.942 12.810 -2.232 1.00 0.00 C ATOM 1768 C ASP A 118 13.091 13.106 -3.463 1.00 0.00 C ATOM 1769 O ASP A 118 13.587 13.623 -4.463 1.00 0.00 O ATOM 1770 CB ASP A 118 14.313 11.327 -2.198 1.00 0.00 C ATOM 1771 CG ASP A 118 15.549 11.059 -1.361 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.815 11.845 -0.427 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.248 10.063 -1.639 1.00 0.00 O ATOM 0 H ASP A 118 13.298 12.497 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 118 14.855 13.403 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.476 10.755 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.483 10.974 -3.215 1.00 0.00 H new ATOM 1778 N ASN A 119 11.806 12.773 -3.382 1.00 0.00 N ATOM 1779 CA ASN A 119 10.886 13.002 -4.491 1.00 0.00 C ATOM 1780 C ASN A 119 10.280 14.399 -4.415 1.00 0.00 C ATOM 1781 O ASN A 119 10.652 15.291 -5.177 1.00 0.00 O ATOM 1782 CB ASN A 119 9.775 11.950 -4.483 1.00 0.00 C ATOM 1783 CG ASN A 119 10.269 10.583 -4.916 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.904 10.088 -5.982 1.00 0.00 O ATOM 1785 ND2 ASN A 119 11.105 9.967 -4.089 1.00 0.00 N ATOM 0 H ASN A 119 11.379 12.344 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 119 11.448 12.920 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.352 11.880 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 119 8.971 12.270 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.472 9.046 -4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.381 10.415 -3.215 1.00 0.00 H new