USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= -0.0342 K(o=2.1,f=-6.3!) USER MOD Set 1.2: A 85 TYR OH : rot -23:sc= 1.28 USER MOD Set 1.3: A 90 LYS NZ :NH3+ 155:sc= 0.855 (180deg=0.522) USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= 0.621 USER MOD Set 2.2: A 103 LYS NZ :NH3+ -173:sc= 0.745 (180deg=0.0151) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 2.03 (180deg=1.11) USER MOD Single : A 3 SER OG : rot -151:sc= 0.919 USER MOD Single : A 9 SER OG : rot 180:sc= 0.164 USER MOD Single : A 10 LYS NZ :NH3+ 175:sc=-0.00579 (180deg=-0.0441) USER MOD Single : A 16 GLN : amide:sc= 1.02 K(o=1,f=-8.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 24 HIS : no HD1:sc= 1.02 K(o=1,f=-5.1!) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.841 (180deg=-0.192) USER MOD Single : A 32 THR OG1 : rot 150:sc= 0.661 USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000566 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0251 (180deg=-0.231) USER MOD Single : A 41 MET CE :methyl 176:sc= 0 (180deg=-0.0297) USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 50 SER OG : rot -22:sc= 1.27 USER MOD Single : A 51 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= 0.691 (180deg=0.373) USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= 0.378 (180deg=-1.01) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.437 USER MOD Single : A 79 MET CE :methyl 141:sc= -0.143 (180deg=-0.504) USER MOD Single : A 81 THR OG1 : rot 99:sc= 1.06 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.35 (180deg=1.27) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.39) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0422) USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0.854 (180deg=0.734) USER MOD Single : A 109 HIS : no HD1:sc= 0.574 K(o=0.57,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.665 -14.500 2.812 1.00 0.00 N ATOM 2 CA GLY A 1 2.002 -14.297 4.109 1.00 0.00 C ATOM 3 C GLY A 1 1.299 -12.946 4.153 1.00 0.00 C ATOM 4 O GLY A 1 1.128 -12.331 3.102 1.00 0.00 O ATOM 0 H1 GLY A 1 2.657 -15.512 2.572 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.160 -13.966 2.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.648 -14.166 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.279 -15.094 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.738 -14.355 4.911 1.00 0.00 H new ATOM 10 N GLY A 2 0.910 -12.488 5.348 1.00 0.00 N ATOM 11 CA GLY A 2 0.145 -11.262 5.552 1.00 0.00 C ATOM 12 C GLY A 2 0.940 -9.978 5.306 1.00 0.00 C ATOM 13 O GLY A 2 1.093 -9.153 6.205 1.00 0.00 O ATOM 0 H GLY A 2 1.126 -12.974 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.720 -11.273 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.236 -11.250 6.573 1.00 0.00 H new ATOM 17 N SER A 3 1.410 -9.776 4.078 1.00 0.00 N ATOM 18 CA SER A 3 2.101 -8.561 3.672 1.00 0.00 C ATOM 19 C SER A 3 1.053 -7.487 3.364 1.00 0.00 C ATOM 20 O SER A 3 0.880 -7.052 2.226 1.00 0.00 O ATOM 21 CB SER A 3 2.988 -8.890 2.476 1.00 0.00 C ATOM 22 OG SER A 3 4.127 -9.590 2.918 1.00 0.00 O ATOM 0 H SER A 3 1.319 -10.462 3.329 1.00 0.00 H new ATOM 0 HA SER A 3 2.745 -8.171 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.436 -9.491 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.286 -7.973 1.967 1.00 0.00 H new ATOM 0 HG SER A 3 4.875 -9.415 2.310 1.00 0.00 H new ATOM 28 N VAL A 4 0.336 -7.085 4.409 1.00 0.00 N ATOM 29 CA VAL A 4 -0.782 -6.159 4.376 1.00 0.00 C ATOM 30 C VAL A 4 -0.564 -5.082 5.447 1.00 0.00 C ATOM 31 O VAL A 4 -1.522 -4.573 6.027 1.00 0.00 O ATOM 32 CB VAL A 4 -2.031 -7.041 4.599 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.086 -7.614 6.020 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.371 -6.376 4.301 1.00 0.00 C ATOM 0 H VAL A 4 0.534 -7.418 5.353 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.894 -5.611 3.440 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.898 -7.834 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.980 -8.227 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.202 -8.226 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.115 -6.797 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.178 -7.083 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.495 -5.503 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.399 -6.065 3.257 1.00 0.00 H new ATOM 44 N ILE A 5 0.703 -4.741 5.718 1.00 0.00 N ATOM 45 CA ILE A 5 1.084 -3.875 6.829 1.00 0.00 C ATOM 46 C ILE A 5 1.804 -2.602 6.378 1.00 0.00 C ATOM 47 O ILE A 5 2.477 -2.550 5.344 1.00 0.00 O ATOM 48 CB ILE A 5 1.926 -4.668 7.850 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.190 -5.281 7.220 1.00 0.00 C ATOM 50 CG2 ILE A 5 1.056 -5.772 8.473 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.169 -5.817 8.268 1.00 0.00 C ATOM 0 H ILE A 5 1.496 -5.064 5.164 1.00 0.00 H new ATOM 0 HA ILE A 5 0.165 -3.539 7.309 1.00 0.00 H new ATOM 0 HB ILE A 5 2.262 -3.972 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.901 -6.091 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.691 -4.527 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.646 -6.336 9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.201 -5.321 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.704 -6.443 7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.042 -6.238 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.482 -5.004 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.681 -6.592 8.859 1.00 0.00 H new ATOM 63 N VAL A 6 1.654 -1.571 7.214 1.00 0.00 N ATOM 64 CA VAL A 6 2.188 -0.239 7.013 1.00 0.00 C ATOM 65 C VAL A 6 3.668 -0.192 7.388 1.00 0.00 C ATOM 66 O VAL A 6 4.053 -0.611 8.476 1.00 0.00 O ATOM 67 CB VAL A 6 1.368 0.754 7.860 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.036 2.133 7.951 1.00 0.00 C ATOM 69 CG2 VAL A 6 -0.037 0.906 7.263 1.00 0.00 C ATOM 0 H VAL A 6 1.132 -1.655 8.086 1.00 0.00 H new ATOM 0 HA VAL A 6 2.111 0.036 5.961 1.00 0.00 H new ATOM 0 HB VAL A 6 1.309 0.348 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.420 2.796 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.020 2.031 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.143 2.552 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.614 1.609 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.040 1.280 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.537 -0.063 7.258 1.00 0.00 H new ATOM 79 N ILE A 7 4.484 0.329 6.471 1.00 0.00 N ATOM 80 CA ILE A 7 5.903 0.595 6.624 1.00 0.00 C ATOM 81 C ILE A 7 6.231 1.606 5.517 1.00 0.00 C ATOM 82 O ILE A 7 5.317 2.260 5.014 1.00 0.00 O ATOM 83 CB ILE A 7 6.708 -0.726 6.606 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.149 -0.519 7.119 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.712 -1.385 5.218 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.577 -1.694 8.002 1.00 0.00 C ATOM 0 H ILE A 7 4.144 0.591 5.546 1.00 0.00 H new ATOM 0 HA ILE A 7 6.182 1.028 7.584 1.00 0.00 H new ATOM 0 HB ILE A 7 6.201 -1.408 7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.832 -0.423 6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.210 0.410 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.289 -2.309 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.688 -1.609 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.161 -0.705 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.595 -1.532 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.905 -1.771 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.536 -2.617 7.424 1.00 0.00 H new ATOM 98 N ASP A 8 7.503 1.750 5.146 1.00 0.00 N ATOM 99 CA ASP A 8 7.933 2.627 4.069 1.00 0.00 C ATOM 100 C ASP A 8 9.282 2.166 3.530 1.00 0.00 C ATOM 101 O ASP A 8 9.428 1.904 2.339 1.00 0.00 O ATOM 102 CB ASP A 8 8.029 4.070 4.576 1.00 0.00 C ATOM 103 CG ASP A 8 8.793 4.926 3.575 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.349 4.950 2.408 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.820 5.504 3.987 1.00 0.00 O ATOM 0 H ASP A 8 8.271 1.251 5.595 1.00 0.00 H new ATOM 0 HA ASP A 8 7.201 2.587 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.030 4.478 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.532 4.091 5.543 1.00 0.00 H new ATOM 110 N SER A 9 10.256 2.093 4.437 1.00 0.00 N ATOM 111 CA SER A 9 11.649 1.758 4.208 1.00 0.00 C ATOM 112 C SER A 9 11.847 0.788 3.042 1.00 0.00 C ATOM 113 O SER A 9 11.384 -0.345 3.110 1.00 0.00 O ATOM 114 CB SER A 9 12.201 1.171 5.507 1.00 0.00 C ATOM 115 OG SER A 9 11.678 1.907 6.600 1.00 0.00 O ATOM 0 H SER A 9 10.071 2.282 5.422 1.00 0.00 H new ATOM 0 HA SER A 9 12.188 2.662 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.925 0.120 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.290 1.216 5.508 1.00 0.00 H new ATOM 0 HG SER A 9 12.025 1.538 7.439 1.00 0.00 H new ATOM 121 N LYS A 10 12.570 1.216 2.003 1.00 0.00 N ATOM 122 CA LYS A 10 12.808 0.449 0.785 1.00 0.00 C ATOM 123 C LYS A 10 13.075 -1.039 1.059 1.00 0.00 C ATOM 124 O LYS A 10 12.357 -1.898 0.557 1.00 0.00 O ATOM 125 CB LYS A 10 13.920 1.135 -0.022 1.00 0.00 C ATOM 126 CG LYS A 10 15.272 1.308 0.691 1.00 0.00 C ATOM 127 CD LYS A 10 16.261 2.140 -0.143 1.00 0.00 C ATOM 128 CE LYS A 10 15.827 3.590 -0.407 1.00 0.00 C ATOM 129 NZ LYS A 10 15.529 4.321 0.839 1.00 0.00 N ATOM 0 H LYS A 10 13.017 2.133 1.990 1.00 0.00 H new ATOM 0 HA LYS A 10 11.900 0.444 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.085 0.561 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.565 2.120 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.114 1.792 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.703 0.328 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.224 2.152 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.414 1.642 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.616 4.110 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.944 3.592 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.323 5.316 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.704 3.892 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.350 4.271 1.476 1.00 0.00 H new ATOM 143 N ALA A 11 14.053 -1.358 1.909 1.00 0.00 N ATOM 144 CA ALA A 11 14.369 -2.742 2.248 1.00 0.00 C ATOM 145 C ALA A 11 13.119 -3.490 2.730 1.00 0.00 C ATOM 146 O ALA A 11 12.876 -4.630 2.334 1.00 0.00 O ATOM 147 CB ALA A 11 15.457 -2.763 3.324 1.00 0.00 C ATOM 0 H ALA A 11 14.642 -0.669 2.377 1.00 0.00 H new ATOM 0 HA ALA A 11 14.733 -3.250 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.696 -3.795 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.351 -2.266 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.100 -2.242 4.213 1.00 0.00 H new ATOM 153 N ALA A 12 12.317 -2.839 3.576 1.00 0.00 N ATOM 154 CA ALA A 12 11.089 -3.408 4.100 1.00 0.00 C ATOM 155 C ALA A 12 10.034 -3.505 2.998 1.00 0.00 C ATOM 156 O ALA A 12 9.258 -4.451 3.006 1.00 0.00 O ATOM 157 CB ALA A 12 10.573 -2.573 5.269 1.00 0.00 C ATOM 0 H ALA A 12 12.509 -1.896 3.914 1.00 0.00 H new ATOM 0 HA ALA A 12 11.298 -4.414 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.652 -3.012 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.322 -2.554 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.377 -1.556 4.931 1.00 0.00 H new ATOM 163 N TRP A 13 9.977 -2.545 2.068 1.00 0.00 N ATOM 164 CA TRP A 13 9.061 -2.609 0.930 1.00 0.00 C ATOM 165 C TRP A 13 9.374 -3.892 0.153 1.00 0.00 C ATOM 166 O TRP A 13 8.502 -4.744 -0.018 1.00 0.00 O ATOM 167 CB TRP A 13 9.157 -1.322 0.071 1.00 0.00 C ATOM 168 CG TRP A 13 9.362 -1.446 -1.421 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.561 -1.516 -2.044 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.377 -1.444 -2.504 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.398 -1.644 -3.401 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.070 -1.568 -3.746 1.00 0.00 C ATOM 173 CE3 TRP A 13 6.971 -1.332 -2.576 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.414 -1.593 -4.984 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.309 -1.299 -3.819 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.021 -1.452 -5.019 1.00 0.00 C ATOM 0 H TRP A 13 10.561 -1.709 2.085 1.00 0.00 H new ATOM 0 HA TRP A 13 8.023 -2.652 1.259 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.242 -0.752 0.230 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.978 -0.724 0.467 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.516 -1.477 -1.542 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.161 -1.778 -4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.395 -1.271 -1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.975 -1.719 -5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.239 -1.154 -3.849 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.498 -1.461 -5.964 1.00 0.00 H new ATOM 187 N ASP A 14 10.639 -4.055 -0.253 1.00 0.00 N ATOM 188 CA ASP A 14 11.093 -5.216 -1.012 1.00 0.00 C ATOM 189 C ASP A 14 10.781 -6.499 -0.244 1.00 0.00 C ATOM 190 O ASP A 14 10.181 -7.434 -0.778 1.00 0.00 O ATOM 191 CB ASP A 14 12.598 -5.109 -1.299 1.00 0.00 C ATOM 192 CG ASP A 14 12.945 -3.951 -2.229 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.381 -3.921 -3.345 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.772 -3.112 -1.813 1.00 0.00 O ATOM 0 H ASP A 14 11.377 -3.378 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 14 10.564 -5.245 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.134 -4.986 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.945 -6.042 -1.744 1.00 0.00 H new ATOM 199 N ALA A 15 11.189 -6.533 1.025 1.00 0.00 N ATOM 200 CA ALA A 15 10.959 -7.677 1.891 1.00 0.00 C ATOM 201 C ALA A 15 9.469 -8.002 1.964 1.00 0.00 C ATOM 202 O ALA A 15 9.089 -9.163 1.829 1.00 0.00 O ATOM 203 CB ALA A 15 11.526 -7.405 3.285 1.00 0.00 C ATOM 0 H ALA A 15 11.687 -5.766 1.476 1.00 0.00 H new ATOM 0 HA ALA A 15 11.473 -8.542 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.348 -8.269 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.598 -7.222 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.037 -6.530 3.712 1.00 0.00 H new ATOM 209 N GLN A 16 8.632 -6.984 2.178 1.00 0.00 N ATOM 210 CA GLN A 16 7.191 -7.145 2.282 1.00 0.00 C ATOM 211 C GLN A 16 6.665 -7.751 0.976 1.00 0.00 C ATOM 212 O GLN A 16 5.841 -8.662 1.041 1.00 0.00 O ATOM 213 CB GLN A 16 6.486 -5.829 2.687 1.00 0.00 C ATOM 214 CG GLN A 16 4.989 -6.122 2.894 1.00 0.00 C ATOM 215 CD GLN A 16 4.133 -5.089 3.634 1.00 0.00 C ATOM 216 OE1 GLN A 16 3.047 -5.426 4.098 1.00 0.00 O ATOM 217 NE2 GLN A 16 4.563 -3.840 3.770 1.00 0.00 N ATOM 0 H GLN A 16 8.944 -6.019 2.284 1.00 0.00 H new ATOM 0 HA GLN A 16 6.956 -7.837 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.924 -5.430 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.621 -5.073 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.544 -6.277 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.908 -7.066 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.466 -3.566 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.990 -3.154 4.262 1.00 0.00 H new ATOM 226 N LEU A 17 7.134 -7.301 -0.200 1.00 0.00 N ATOM 227 CA LEU A 17 6.717 -7.921 -1.449 1.00 0.00 C ATOM 228 C LEU A 17 7.032 -9.418 -1.398 1.00 0.00 C ATOM 229 O LEU A 17 6.140 -10.258 -1.511 1.00 0.00 O ATOM 230 CB LEU A 17 7.431 -7.315 -2.674 1.00 0.00 C ATOM 231 CG LEU A 17 7.344 -5.800 -2.916 1.00 0.00 C ATOM 232 CD1 LEU A 17 7.649 -5.503 -4.389 1.00 0.00 C ATOM 233 CD2 LEU A 17 5.982 -5.216 -2.557 1.00 0.00 C ATOM 0 H LEU A 17 7.789 -6.525 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 17 5.647 -7.743 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.487 -7.576 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.040 -7.812 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 17 8.078 -5.329 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.588 -4.429 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.652 -5.854 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.924 -6.015 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.984 -4.143 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.211 -5.692 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.776 -5.394 -1.502 1.00 0.00 H new ATOM 245 N ALA A 18 8.313 -9.741 -1.198 1.00 0.00 N ATOM 246 CA ALA A 18 8.800 -11.110 -1.208 1.00 0.00 C ATOM 247 C ALA A 18 8.027 -12.009 -0.240 1.00 0.00 C ATOM 248 O ALA A 18 7.427 -12.998 -0.666 1.00 0.00 O ATOM 249 CB ALA A 18 10.294 -11.099 -0.881 1.00 0.00 C ATOM 0 H ALA A 18 9.042 -9.049 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 18 8.641 -11.531 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.675 -12.120 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.826 -10.511 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.448 -10.658 0.104 1.00 0.00 H new ATOM 255 N LYS A 19 7.999 -11.665 1.053 1.00 0.00 N ATOM 256 CA LYS A 19 7.334 -12.493 2.050 1.00 0.00 C ATOM 257 C LYS A 19 5.819 -12.539 1.820 1.00 0.00 C ATOM 258 O LYS A 19 5.131 -13.341 2.457 1.00 0.00 O ATOM 259 CB LYS A 19 7.704 -12.016 3.463 1.00 0.00 C ATOM 260 CG LYS A 19 6.994 -10.722 3.860 1.00 0.00 C ATOM 261 CD LYS A 19 7.380 -10.211 5.254 1.00 0.00 C ATOM 262 CE LYS A 19 8.819 -9.683 5.317 1.00 0.00 C ATOM 263 NZ LYS A 19 9.132 -9.143 6.651 1.00 0.00 N ATOM 0 H LYS A 19 8.430 -10.819 1.427 1.00 0.00 H new ATOM 0 HA LYS A 19 7.686 -13.520 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.454 -12.797 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.782 -11.865 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.223 -9.951 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.917 -10.884 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.693 -9.417 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.262 -11.018 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.515 -10.487 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.957 -8.905 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.111 -8.794 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.483 -8.361 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.023 -9.893 7.363 1.00 0.00 H new ATOM 277 N GLY A 20 5.270 -11.704 0.928 1.00 0.00 N ATOM 278 CA GLY A 20 3.866 -11.763 0.586 1.00 0.00 C ATOM 279 C GLY A 20 3.554 -13.117 -0.041 1.00 0.00 C ATOM 280 O GLY A 20 2.501 -13.680 0.259 1.00 0.00 O ATOM 0 H GLY A 20 5.791 -10.980 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.257 -11.614 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.616 -10.962 -0.109 1.00 0.00 H new ATOM 284 N LYS A 21 4.504 -13.663 -0.816 1.00 0.00 N ATOM 285 CA LYS A 21 4.367 -14.913 -1.551 1.00 0.00 C ATOM 286 C LYS A 21 3.182 -14.770 -2.502 1.00 0.00 C ATOM 287 O LYS A 21 2.087 -15.273 -2.262 1.00 0.00 O ATOM 288 CB LYS A 21 4.246 -16.125 -0.610 1.00 0.00 C ATOM 289 CG LYS A 21 5.478 -16.294 0.291 1.00 0.00 C ATOM 290 CD LYS A 21 6.814 -16.494 -0.447 1.00 0.00 C ATOM 291 CE LYS A 21 6.806 -17.621 -1.490 1.00 0.00 C ATOM 292 NZ LYS A 21 6.389 -18.911 -0.913 1.00 0.00 N ATOM 0 H LYS A 21 5.416 -13.226 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 21 5.267 -15.108 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.358 -16.011 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.106 -17.029 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.563 -15.415 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.313 -17.149 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.084 -15.561 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.592 -16.702 0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.133 -17.355 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.802 -17.723 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.480 -19.658 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.994 -19.139 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.399 -18.848 -0.602 1.00 0.00 H new ATOM 306 N GLU A 22 3.431 -14.043 -3.593 1.00 0.00 N ATOM 307 CA GLU A 22 2.467 -13.742 -4.638 1.00 0.00 C ATOM 308 C GLU A 22 2.226 -14.992 -5.490 1.00 0.00 C ATOM 309 O GLU A 22 2.568 -15.040 -6.669 1.00 0.00 O ATOM 310 CB GLU A 22 2.967 -12.545 -5.471 1.00 0.00 C ATOM 311 CG GLU A 22 1.820 -11.729 -6.087 1.00 0.00 C ATOM 312 CD GLU A 22 0.944 -12.489 -7.084 1.00 0.00 C ATOM 313 OE1 GLU A 22 0.170 -13.357 -6.626 1.00 0.00 O ATOM 314 OE2 GLU A 22 1.032 -12.166 -8.287 1.00 0.00 O ATOM 0 H GLU A 22 4.348 -13.634 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 22 1.509 -13.457 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.571 -11.895 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.617 -12.908 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.187 -11.356 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.243 -10.859 -6.589 1.00 0.00 H new ATOM 321 N GLU A 23 1.625 -16.009 -4.876 1.00 0.00 N ATOM 322 CA GLU A 23 1.251 -17.232 -5.572 1.00 0.00 C ATOM 323 C GLU A 23 0.056 -16.924 -6.480 1.00 0.00 C ATOM 324 O GLU A 23 0.032 -17.317 -7.644 1.00 0.00 O ATOM 325 CB GLU A 23 0.914 -18.346 -4.567 1.00 0.00 C ATOM 326 CG GLU A 23 1.979 -18.541 -3.474 1.00 0.00 C ATOM 327 CD GLU A 23 3.399 -18.600 -4.031 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.750 -19.668 -4.577 1.00 0.00 O ATOM 329 OE2 GLU A 23 4.108 -17.578 -3.897 1.00 0.00 O ATOM 0 H GLU A 23 1.385 -16.006 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 23 2.085 -17.588 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.041 -18.118 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.786 -19.284 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.909 -17.724 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.769 -19.462 -2.930 1.00 0.00 H new ATOM 336 N HIS A 24 -0.936 -16.224 -5.918 1.00 0.00 N ATOM 337 CA HIS A 24 -2.152 -15.780 -6.589 1.00 0.00 C ATOM 338 C HIS A 24 -2.881 -14.818 -5.645 1.00 0.00 C ATOM 339 O HIS A 24 -3.950 -15.129 -5.125 1.00 0.00 O ATOM 340 CB HIS A 24 -3.033 -16.982 -6.969 1.00 0.00 C ATOM 341 CG HIS A 24 -4.328 -16.595 -7.639 1.00 0.00 C ATOM 342 ND1 HIS A 24 -5.455 -17.411 -7.559 1.00 0.00 N ATOM 343 CD2 HIS A 24 -4.639 -15.477 -8.369 1.00 0.00 C ATOM 344 CE1 HIS A 24 -6.405 -16.747 -8.226 1.00 0.00 C ATOM 345 NE2 HIS A 24 -5.964 -15.586 -8.731 1.00 0.00 N ATOM 0 H HIS A 24 -0.907 -15.941 -4.938 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.911 -15.266 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.471 -17.637 -7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.256 -17.556 -6.070 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.971 -14.664 -8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.416 -17.107 -8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.504 -14.914 -9.277 1.00 0.00 H new ATOM 353 N LYS A 25 -2.264 -13.665 -5.375 1.00 0.00 N ATOM 354 CA LYS A 25 -2.767 -12.626 -4.485 1.00 0.00 C ATOM 355 C LYS A 25 -2.457 -11.271 -5.138 1.00 0.00 C ATOM 356 O LYS A 25 -1.336 -11.086 -5.606 1.00 0.00 O ATOM 357 CB LYS A 25 -2.056 -12.717 -3.120 1.00 0.00 C ATOM 358 CG LYS A 25 -2.028 -14.114 -2.473 1.00 0.00 C ATOM 359 CD LYS A 25 -3.406 -14.588 -1.985 1.00 0.00 C ATOM 360 CE LYS A 25 -3.444 -16.097 -1.714 1.00 0.00 C ATOM 361 NZ LYS A 25 -3.245 -16.883 -2.945 1.00 0.00 N ATOM 0 H LYS A 25 -1.364 -13.424 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.839 -12.743 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.029 -12.373 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.543 -12.027 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.639 -14.833 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.337 -14.102 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.670 -14.051 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.159 -14.337 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.671 -16.355 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.402 -16.361 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.723 -17.802 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.644 -16.366 -3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.228 -17.036 -3.099 1.00 0.00 H new ATOM 375 N PRO A 26 -3.400 -10.322 -5.222 1.00 0.00 N ATOM 376 CA PRO A 26 -3.119 -9.015 -5.796 1.00 0.00 C ATOM 377 C PRO A 26 -2.214 -8.236 -4.845 1.00 0.00 C ATOM 378 O PRO A 26 -2.430 -8.276 -3.632 1.00 0.00 O ATOM 379 CB PRO A 26 -4.487 -8.347 -5.959 1.00 0.00 C ATOM 380 CG PRO A 26 -5.287 -8.943 -4.799 1.00 0.00 C ATOM 381 CD PRO A 26 -4.771 -10.387 -4.739 1.00 0.00 C ATOM 0 HA PRO A 26 -2.600 -9.066 -6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.419 -7.261 -5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.939 -8.577 -6.924 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.106 -8.409 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.360 -8.904 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.812 -10.778 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.376 -11.048 -5.360 1.00 0.00 H new ATOM 389 N ILE A 27 -1.201 -7.549 -5.385 1.00 0.00 N ATOM 390 CA ILE A 27 -0.314 -6.708 -4.594 1.00 0.00 C ATOM 391 C ILE A 27 -0.573 -5.275 -5.047 1.00 0.00 C ATOM 392 O ILE A 27 -0.456 -4.981 -6.239 1.00 0.00 O ATOM 393 CB ILE A 27 1.159 -7.183 -4.624 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.044 -6.411 -5.609 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.231 -8.690 -4.912 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.488 -6.928 -5.618 1.00 0.00 C ATOM 0 H ILE A 27 -0.979 -7.564 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.528 -6.776 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 27 1.559 -6.974 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.625 -6.492 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.040 -5.353 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.274 -9.008 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.699 -9.235 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.772 -8.898 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.077 -6.351 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.918 -6.823 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.496 -7.979 -5.908 1.00 0.00 H new ATOM 408 N VAL A 28 -0.995 -4.424 -4.107 1.00 0.00 N ATOM 409 CA VAL A 28 -1.409 -3.048 -4.341 1.00 0.00 C ATOM 410 C VAL A 28 -0.509 -2.138 -3.512 1.00 0.00 C ATOM 411 O VAL A 28 -0.381 -2.353 -2.307 1.00 0.00 O ATOM 412 CB VAL A 28 -2.881 -2.874 -3.919 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.422 -1.525 -4.412 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.765 -4.010 -4.452 1.00 0.00 C ATOM 0 H VAL A 28 -1.058 -4.691 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.322 -2.794 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.912 -2.904 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.463 -1.417 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.831 -0.717 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.357 -1.482 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.795 -3.850 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.721 -4.025 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.408 -4.963 -4.061 1.00 0.00 H new ATOM 424 N VAL A 29 0.120 -1.136 -4.128 1.00 0.00 N ATOM 425 CA VAL A 29 0.994 -0.225 -3.398 1.00 0.00 C ATOM 426 C VAL A 29 0.406 1.181 -3.391 1.00 0.00 C ATOM 427 O VAL A 29 -0.047 1.666 -4.426 1.00 0.00 O ATOM 428 CB VAL A 29 2.425 -0.257 -3.962 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.471 -0.155 -5.483 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.280 0.859 -3.339 1.00 0.00 C ATOM 0 H VAL A 29 0.040 -0.938 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 29 1.060 -0.558 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 29 2.836 -1.230 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.508 -0.183 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.925 -0.991 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.013 0.782 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.288 0.818 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.834 1.828 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.325 0.723 -2.258 1.00 0.00 H new ATOM 440 N ASP A 30 0.429 1.814 -2.213 1.00 0.00 N ATOM 441 CA ASP A 30 0.002 3.185 -1.993 1.00 0.00 C ATOM 442 C ASP A 30 1.255 4.049 -1.915 1.00 0.00 C ATOM 443 O ASP A 30 1.888 4.120 -0.859 1.00 0.00 O ATOM 444 CB ASP A 30 -0.795 3.292 -0.688 1.00 0.00 C ATOM 445 CG ASP A 30 -1.375 4.685 -0.449 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.009 5.615 -1.201 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.193 4.801 0.489 1.00 0.00 O ATOM 0 H ASP A 30 0.759 1.362 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.643 3.517 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.607 2.565 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.148 3.027 0.148 1.00 0.00 H new ATOM 452 N PHE A 31 1.620 4.668 -3.036 1.00 0.00 N ATOM 453 CA PHE A 31 2.740 5.587 -3.115 1.00 0.00 C ATOM 454 C PHE A 31 2.197 6.971 -2.759 1.00 0.00 C ATOM 455 O PHE A 31 1.748 7.693 -3.649 1.00 0.00 O ATOM 456 CB PHE A 31 3.323 5.560 -4.533 1.00 0.00 C ATOM 457 CG PHE A 31 4.035 4.280 -4.917 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.301 3.993 -4.373 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.502 3.447 -5.919 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.022 2.869 -4.814 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.261 2.372 -6.413 1.00 0.00 C ATOM 462 CZ PHE A 31 5.506 2.062 -5.842 1.00 0.00 C ATOM 0 H PHE A 31 1.135 4.540 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 31 3.543 5.314 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.515 5.734 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.022 6.390 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.720 4.638 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.512 3.634 -6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.973 2.626 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.885 1.782 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.065 1.207 -6.192 1.00 0.00 H new ATOM 472 N THR A 32 2.233 7.332 -1.474 1.00 0.00 N ATOM 473 CA THR A 32 1.723 8.597 -0.952 1.00 0.00 C ATOM 474 C THR A 32 2.877 9.478 -0.468 1.00 0.00 C ATOM 475 O THR A 32 4.032 9.097 -0.600 1.00 0.00 O ATOM 476 CB THR A 32 0.682 8.306 0.147 1.00 0.00 C ATOM 477 OG1 THR A 32 0.192 9.519 0.679 1.00 0.00 O ATOM 478 CG2 THR A 32 1.251 7.465 1.295 1.00 0.00 C ATOM 0 H THR A 32 2.630 6.734 -0.749 1.00 0.00 H new ATOM 0 HA THR A 32 1.221 9.159 -1.740 1.00 0.00 H new ATOM 0 HB THR A 32 -0.118 7.736 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.733 9.395 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.474 7.292 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.601 6.509 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.083 7.996 1.757 1.00 0.00 H new ATOM 486 N ALA A 33 2.577 10.664 0.070 1.00 0.00 N ATOM 487 CA ALA A 33 3.566 11.624 0.548 1.00 0.00 C ATOM 488 C ALA A 33 3.102 12.225 1.873 1.00 0.00 C ATOM 489 O ALA A 33 2.131 12.977 1.896 1.00 0.00 O ATOM 490 CB ALA A 33 3.774 12.715 -0.505 1.00 0.00 C ATOM 0 H ALA A 33 1.616 10.987 0.186 1.00 0.00 H new ATOM 0 HA ALA A 33 4.518 11.120 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.513 13.431 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.127 12.263 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.830 13.229 -0.688 1.00 0.00 H new ATOM 496 N THR A 34 3.810 11.911 2.960 1.00 0.00 N ATOM 497 CA THR A 34 3.564 12.376 4.324 1.00 0.00 C ATOM 498 C THR A 34 3.084 13.829 4.391 1.00 0.00 C ATOM 499 O THR A 34 2.036 14.123 4.962 1.00 0.00 O ATOM 500 CB THR A 34 4.878 12.242 5.111 1.00 0.00 C ATOM 501 OG1 THR A 34 5.955 12.610 4.264 1.00 0.00 O ATOM 502 CG2 THR A 34 5.071 10.805 5.603 1.00 0.00 C ATOM 0 H THR A 34 4.617 11.289 2.907 1.00 0.00 H new ATOM 0 HA THR A 34 2.767 11.765 4.748 1.00 0.00 H new ATOM 0 HB THR A 34 4.844 12.897 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.799 12.530 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.007 10.733 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.241 10.529 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.102 10.129 4.749 1.00 0.00 H new ATOM 510 N TRP A 35 3.882 14.741 3.837 1.00 0.00 N ATOM 511 CA TRP A 35 3.610 16.172 3.869 1.00 0.00 C ATOM 512 C TRP A 35 2.338 16.561 3.105 1.00 0.00 C ATOM 513 O TRP A 35 1.710 17.570 3.429 1.00 0.00 O ATOM 514 CB TRP A 35 4.832 16.918 3.320 1.00 0.00 C ATOM 515 CG TRP A 35 5.332 16.492 1.970 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.380 15.666 1.752 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.855 16.882 0.646 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.614 15.553 0.399 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.684 16.260 -0.334 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.819 17.716 0.169 1.00 0.00 C ATOM 521 CZ2 TRP A 35 5.492 16.446 -1.710 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.607 17.899 -1.210 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.439 17.264 -2.149 1.00 0.00 C ATOM 0 H TRP A 35 4.745 14.501 3.348 1.00 0.00 H new ATOM 0 HA TRP A 35 3.428 16.458 4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.590 17.980 3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.647 16.808 4.035 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.949 15.169 2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.378 15.015 -0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.178 18.222 0.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.146 15.966 -2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.800 18.531 -1.549 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.268 17.405 -3.206 1.00 0.00 H new ATOM 534 N CYS A 36 1.950 15.802 2.079 1.00 0.00 N ATOM 535 CA CYS A 36 0.762 16.126 1.303 1.00 0.00 C ATOM 536 C CYS A 36 -0.473 15.717 2.106 1.00 0.00 C ATOM 537 O CYS A 36 -0.932 14.587 2.006 1.00 0.00 O ATOM 538 CB CYS A 36 0.809 15.433 -0.060 1.00 0.00 C ATOM 539 SG CYS A 36 -0.784 15.410 -0.916 1.00 0.00 S ATOM 0 H CYS A 36 2.442 14.963 1.771 1.00 0.00 H new ATOM 0 HA CYS A 36 0.718 17.198 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.543 15.937 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.154 14.408 0.075 1.00 0.00 H new ATOM 544 N GLY A 37 -1.010 16.646 2.902 1.00 0.00 N ATOM 545 CA GLY A 37 -2.203 16.485 3.734 1.00 0.00 C ATOM 546 C GLY A 37 -3.217 15.443 3.231 1.00 0.00 C ATOM 547 O GLY A 37 -3.423 14.430 3.897 1.00 0.00 O ATOM 0 H GLY A 37 -0.603 17.577 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.890 16.207 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.705 17.449 3.811 1.00 0.00 H new ATOM 551 N PRO A 38 -3.872 15.652 2.077 1.00 0.00 N ATOM 552 CA PRO A 38 -4.860 14.709 1.563 1.00 0.00 C ATOM 553 C PRO A 38 -4.240 13.347 1.233 1.00 0.00 C ATOM 554 O PRO A 38 -4.852 12.306 1.468 1.00 0.00 O ATOM 555 CB PRO A 38 -5.481 15.383 0.336 1.00 0.00 C ATOM 556 CG PRO A 38 -4.418 16.385 -0.113 1.00 0.00 C ATOM 557 CD PRO A 38 -3.755 16.806 1.200 1.00 0.00 C ATOM 0 HA PRO A 38 -5.621 14.487 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.703 14.659 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.418 15.880 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.702 15.932 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.860 17.236 -0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.711 17.077 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.250 17.677 1.629 1.00 0.00 H new ATOM 565 N CYS A 39 -3.017 13.341 0.700 1.00 0.00 N ATOM 566 CA CYS A 39 -2.314 12.103 0.387 1.00 0.00 C ATOM 567 C CYS A 39 -2.099 11.331 1.690 1.00 0.00 C ATOM 568 O CYS A 39 -2.233 10.107 1.736 1.00 0.00 O ATOM 569 CB CYS A 39 -0.959 12.366 -0.287 1.00 0.00 C ATOM 570 SG CYS A 39 -0.855 13.487 -1.706 1.00 0.00 S ATOM 0 H CYS A 39 -2.493 14.187 0.476 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.918 11.527 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.285 12.750 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.563 11.402 -0.606 1.00 0.00 H new ATOM 575 N LYS A 40 -1.758 12.056 2.757 1.00 0.00 N ATOM 576 CA LYS A 40 -1.571 11.510 4.085 1.00 0.00 C ATOM 577 C LYS A 40 -2.903 10.924 4.543 1.00 0.00 C ATOM 578 O LYS A 40 -2.953 9.767 4.938 1.00 0.00 O ATOM 579 CB LYS A 40 -1.044 12.608 5.025 1.00 0.00 C ATOM 580 CG LYS A 40 -0.221 12.084 6.209 1.00 0.00 C ATOM 581 CD LYS A 40 -1.057 11.277 7.213 1.00 0.00 C ATOM 582 CE LYS A 40 -0.267 10.958 8.489 1.00 0.00 C ATOM 583 NZ LYS A 40 0.047 12.171 9.266 1.00 0.00 N ATOM 0 H LYS A 40 -1.603 13.063 2.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.827 10.713 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.430 13.300 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.890 13.178 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.588 11.458 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.241 12.926 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.954 11.839 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.386 10.348 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.843 10.270 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.659 10.449 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.332 11.902 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.825 12.686 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.794 12.782 9.311 1.00 0.00 H new ATOM 597 N MET A 41 -3.988 11.694 4.446 1.00 0.00 N ATOM 598 CA MET A 41 -5.329 11.264 4.844 1.00 0.00 C ATOM 599 C MET A 41 -5.767 9.993 4.110 1.00 0.00 C ATOM 600 O MET A 41 -6.493 9.175 4.668 1.00 0.00 O ATOM 601 CB MET A 41 -6.316 12.420 4.623 1.00 0.00 C ATOM 602 CG MET A 41 -7.726 12.110 5.150 1.00 0.00 C ATOM 603 SD MET A 41 -7.863 11.633 6.895 1.00 0.00 S ATOM 604 CE MET A 41 -7.293 13.149 7.696 1.00 0.00 C ATOM 0 H MET A 41 -3.959 12.647 4.084 1.00 0.00 H new ATOM 0 HA MET A 41 -5.315 11.008 5.903 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.937 13.314 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.373 12.644 3.558 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.349 12.989 4.989 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.145 11.306 4.545 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.384 13.046 8.777 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.250 13.328 7.435 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.901 13.989 7.359 1.00 0.00 H new ATOM 614 N ILE A 42 -5.334 9.803 2.866 1.00 0.00 N ATOM 615 CA ILE A 42 -5.635 8.582 2.126 1.00 0.00 C ATOM 616 C ILE A 42 -4.930 7.368 2.765 1.00 0.00 C ATOM 617 O ILE A 42 -5.429 6.245 2.667 1.00 0.00 O ATOM 618 CB ILE A 42 -5.254 8.794 0.646 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.281 9.714 -0.044 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.135 7.470 -0.118 1.00 0.00 C ATOM 621 CD1 ILE A 42 -7.569 9.006 -0.478 1.00 0.00 C ATOM 0 H ILE A 42 -4.773 10.480 2.349 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.702 8.363 2.170 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.273 9.269 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.538 10.527 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.816 10.166 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.865 7.671 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.365 6.851 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.090 6.945 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.236 9.724 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.327 8.212 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.061 8.578 0.395 1.00 0.00 H new ATOM 633 N ALA A 43 -3.795 7.560 3.446 1.00 0.00 N ATOM 634 CA ALA A 43 -3.024 6.470 4.037 1.00 0.00 C ATOM 635 C ALA A 43 -3.834 5.606 5.027 1.00 0.00 C ATOM 636 O ALA A 43 -3.870 4.387 4.841 1.00 0.00 O ATOM 637 CB ALA A 43 -1.739 7.023 4.665 1.00 0.00 C ATOM 0 H ALA A 43 -3.387 8.482 3.601 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.756 5.787 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.168 6.205 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.140 7.512 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.995 7.745 5.441 1.00 0.00 H new ATOM 643 N PRO A 44 -4.473 6.151 6.083 1.00 0.00 N ATOM 644 CA PRO A 44 -5.276 5.348 6.993 1.00 0.00 C ATOM 645 C PRO A 44 -6.454 4.696 6.271 1.00 0.00 C ATOM 646 O PRO A 44 -6.871 3.605 6.649 1.00 0.00 O ATOM 647 CB PRO A 44 -5.735 6.281 8.117 1.00 0.00 C ATOM 648 CG PRO A 44 -5.670 7.661 7.473 1.00 0.00 C ATOM 649 CD PRO A 44 -4.463 7.525 6.547 1.00 0.00 C ATOM 0 HA PRO A 44 -4.693 4.523 7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.744 6.041 8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.084 6.212 8.988 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.581 7.898 6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.530 8.450 8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.532 8.221 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.537 7.752 7.076 1.00 0.00 H new ATOM 657 N LEU A 45 -7.001 5.331 5.231 1.00 0.00 N ATOM 658 CA LEU A 45 -8.079 4.710 4.465 1.00 0.00 C ATOM 659 C LEU A 45 -7.515 3.462 3.778 1.00 0.00 C ATOM 660 O LEU A 45 -8.092 2.381 3.888 1.00 0.00 O ATOM 661 CB LEU A 45 -8.687 5.698 3.458 1.00 0.00 C ATOM 662 CG LEU A 45 -9.825 6.569 4.020 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.122 5.764 4.184 1.00 0.00 C ATOM 664 CD2 LEU A 45 -9.464 7.255 5.342 1.00 0.00 C ATOM 0 H LEU A 45 -6.721 6.256 4.906 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.893 4.419 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.897 6.351 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.065 5.138 2.603 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.984 7.354 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.904 6.411 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.433 5.374 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.951 4.935 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.309 7.853 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.227 6.499 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.599 7.901 5.192 1.00 0.00 H new ATOM 676 N PHE A 46 -6.361 3.590 3.114 1.00 0.00 N ATOM 677 CA PHE A 46 -5.692 2.444 2.508 1.00 0.00 C ATOM 678 C PHE A 46 -5.478 1.365 3.574 1.00 0.00 C ATOM 679 O PHE A 46 -5.772 0.197 3.333 1.00 0.00 O ATOM 680 CB PHE A 46 -4.363 2.875 1.878 1.00 0.00 C ATOM 681 CG PHE A 46 -3.567 1.739 1.256 1.00 0.00 C ATOM 682 CD1 PHE A 46 -3.886 1.267 -0.030 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.474 1.181 1.944 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.045 0.343 -0.675 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.609 0.285 1.290 1.00 0.00 C ATOM 686 CZ PHE A 46 -1.881 -0.113 -0.031 1.00 0.00 C ATOM 0 H PHE A 46 -5.875 4.477 2.985 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.314 2.033 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.564 3.624 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.752 3.356 2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.781 1.616 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.299 1.441 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.293 -0.016 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.738 -0.097 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.197 -0.768 -0.550 1.00 0.00 H new ATOM 696 N GLU A 47 -4.999 1.749 4.764 1.00 0.00 N ATOM 697 CA GLU A 47 -4.808 0.820 5.875 1.00 0.00 C ATOM 698 C GLU A 47 -6.136 0.134 6.234 1.00 0.00 C ATOM 699 O GLU A 47 -6.176 -1.075 6.456 1.00 0.00 O ATOM 700 CB GLU A 47 -4.217 1.571 7.074 1.00 0.00 C ATOM 701 CG GLU A 47 -3.760 0.609 8.179 1.00 0.00 C ATOM 702 CD GLU A 47 -3.044 1.337 9.316 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.353 2.531 9.520 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.191 0.683 9.954 1.00 0.00 O ATOM 0 H GLU A 47 -4.735 2.710 4.979 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.107 0.038 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.371 2.174 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.962 2.259 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.625 0.078 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.094 -0.141 7.753 1.00 0.00 H new ATOM 711 N THR A 48 -7.232 0.894 6.280 1.00 0.00 N ATOM 712 CA THR A 48 -8.550 0.346 6.571 1.00 0.00 C ATOM 713 C THR A 48 -8.886 -0.721 5.525 1.00 0.00 C ATOM 714 O THR A 48 -9.332 -1.806 5.884 1.00 0.00 O ATOM 715 CB THR A 48 -9.607 1.463 6.619 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.219 2.455 7.549 1.00 0.00 O ATOM 717 CG2 THR A 48 -10.966 0.919 7.067 1.00 0.00 C ATOM 0 H THR A 48 -7.227 1.901 6.117 1.00 0.00 H new ATOM 0 HA THR A 48 -8.548 -0.123 7.555 1.00 0.00 H new ATOM 0 HB THR A 48 -9.687 1.878 5.614 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.441 2.940 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.693 1.731 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.300 0.154 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.874 0.485 8.062 1.00 0.00 H new ATOM 725 N LEU A 49 -8.651 -0.442 4.237 1.00 0.00 N ATOM 726 CA LEU A 49 -8.899 -1.433 3.192 1.00 0.00 C ATOM 727 C LEU A 49 -7.960 -2.637 3.371 1.00 0.00 C ATOM 728 O LEU A 49 -8.380 -3.781 3.198 1.00 0.00 O ATOM 729 CB LEU A 49 -8.757 -0.806 1.798 1.00 0.00 C ATOM 730 CG LEU A 49 -10.072 -0.201 1.287 1.00 0.00 C ATOM 731 CD1 LEU A 49 -10.562 0.984 2.126 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.891 0.253 -0.165 1.00 0.00 C ATOM 0 H LEU A 49 -8.294 0.452 3.900 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.925 -1.790 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.992 -0.030 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.413 -1.565 1.095 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.829 -0.982 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.495 1.363 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.729 0.659 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.811 1.774 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.823 0.683 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.101 1.002 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.620 -0.603 -0.783 1.00 0.00 H new ATOM 744 N SER A 50 -6.700 -2.386 3.736 1.00 0.00 N ATOM 745 CA SER A 50 -5.720 -3.438 4.018 1.00 0.00 C ATOM 746 C SER A 50 -6.347 -4.408 5.022 1.00 0.00 C ATOM 747 O SER A 50 -6.423 -5.610 4.780 1.00 0.00 O ATOM 748 CB SER A 50 -4.404 -2.857 4.576 1.00 0.00 C ATOM 749 OG SER A 50 -3.907 -1.775 3.817 1.00 0.00 O ATOM 0 H SER A 50 -6.329 -1.442 3.845 1.00 0.00 H new ATOM 0 HA SER A 50 -5.467 -3.955 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.566 -2.528 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.652 -3.645 4.609 1.00 0.00 H new ATOM 0 HG SER A 50 -4.276 -1.815 2.910 1.00 0.00 H new ATOM 755 N ASN A 51 -6.838 -3.865 6.141 1.00 0.00 N ATOM 756 CA ASN A 51 -7.502 -4.646 7.178 1.00 0.00 C ATOM 757 C ASN A 51 -8.756 -5.336 6.628 1.00 0.00 C ATOM 758 O ASN A 51 -8.946 -6.526 6.857 1.00 0.00 O ATOM 759 CB ASN A 51 -7.853 -3.728 8.354 1.00 0.00 C ATOM 760 CG ASN A 51 -8.681 -4.461 9.406 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.135 -5.048 10.332 1.00 0.00 O ATOM 762 ND2 ASN A 51 -10.004 -4.424 9.283 1.00 0.00 N ATOM 0 H ASN A 51 -6.784 -2.868 6.349 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.826 -5.428 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.937 -3.350 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.408 -2.864 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.593 -4.893 9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.430 -3.927 8.501 1.00 0.00 H new ATOM 769 N ASP A 52 -9.610 -4.583 5.926 1.00 0.00 N ATOM 770 CA ASP A 52 -10.872 -5.053 5.358 1.00 0.00 C ATOM 771 C ASP A 52 -10.694 -6.358 4.588 1.00 0.00 C ATOM 772 O ASP A 52 -11.361 -7.350 4.871 1.00 0.00 O ATOM 773 CB ASP A 52 -11.447 -3.984 4.418 1.00 0.00 C ATOM 774 CG ASP A 52 -12.789 -4.413 3.837 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.762 -4.437 4.619 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.817 -4.694 2.619 1.00 0.00 O ATOM 0 H ASP A 52 -9.433 -3.597 5.733 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.559 -5.237 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.568 -3.047 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.743 -3.794 3.608 1.00 0.00 H new ATOM 781 N TYR A 53 -9.797 -6.347 3.601 1.00 0.00 N ATOM 782 CA TYR A 53 -9.556 -7.514 2.769 1.00 0.00 C ATOM 783 C TYR A 53 -8.649 -8.521 3.487 1.00 0.00 C ATOM 784 O TYR A 53 -8.803 -9.726 3.292 1.00 0.00 O ATOM 785 CB TYR A 53 -8.945 -7.050 1.451 1.00 0.00 C ATOM 786 CG TYR A 53 -9.915 -6.422 0.467 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.147 -5.035 0.476 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.485 -7.215 -0.548 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.922 -4.440 -0.534 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.265 -6.621 -1.556 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.492 -5.234 -1.542 1.00 0.00 C ATOM 792 OH TYR A 53 -12.220 -4.648 -2.534 1.00 0.00 O ATOM 0 H TYR A 53 -9.226 -5.536 3.362 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.497 -8.027 2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.158 -6.328 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.469 -7.905 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.728 -4.425 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.322 -8.283 -0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.079 -3.372 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.689 -7.230 -2.340 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.544 -5.336 -3.152 1.00 0.00 H new ATOM 802 N ALA A 54 -7.710 -8.039 4.308 1.00 0.00 N ATOM 803 CA ALA A 54 -6.785 -8.836 5.105 1.00 0.00 C ATOM 804 C ALA A 54 -5.729 -9.534 4.237 1.00 0.00 C ATOM 805 O ALA A 54 -5.639 -9.314 3.031 1.00 0.00 O ATOM 806 CB ALA A 54 -7.561 -9.823 5.993 1.00 0.00 C ATOM 0 H ALA A 54 -7.572 -7.037 4.437 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.233 -8.162 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.858 -10.412 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.221 -9.270 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.154 -10.488 5.365 1.00 0.00 H new ATOM 812 N GLY A 55 -4.927 -10.394 4.871 1.00 0.00 N ATOM 813 CA GLY A 55 -3.779 -11.101 4.308 1.00 0.00 C ATOM 814 C GLY A 55 -3.933 -11.669 2.894 1.00 0.00 C ATOM 815 O GLY A 55 -2.923 -11.857 2.217 1.00 0.00 O ATOM 0 H GLY A 55 -5.074 -10.628 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.929 -10.419 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.527 -11.924 4.977 1.00 0.00 H new ATOM 819 N LYS A 56 -5.151 -11.984 2.435 1.00 0.00 N ATOM 820 CA LYS A 56 -5.334 -12.529 1.096 1.00 0.00 C ATOM 821 C LYS A 56 -4.972 -11.506 0.009 1.00 0.00 C ATOM 822 O LYS A 56 -4.774 -11.895 -1.139 1.00 0.00 O ATOM 823 CB LYS A 56 -6.757 -13.074 0.926 1.00 0.00 C ATOM 824 CG LYS A 56 -7.831 -11.984 0.821 1.00 0.00 C ATOM 825 CD LYS A 56 -9.230 -12.584 0.633 1.00 0.00 C ATOM 826 CE LYS A 56 -9.763 -13.258 1.901 1.00 0.00 C ATOM 827 NZ LYS A 56 -10.109 -12.270 2.940 1.00 0.00 N ATOM 0 H LYS A 56 -6.012 -11.870 2.969 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.643 -13.363 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.794 -13.694 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.991 -13.721 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.816 -11.370 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.601 -11.326 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.920 -11.797 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.201 -13.314 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.644 -13.851 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.013 -13.947 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.846 -12.643 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.593 -11.384 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.132 -12.085 2.916 1.00 0.00 H new ATOM 841 N VAL A 57 -4.926 -10.208 0.334 1.00 0.00 N ATOM 842 CA VAL A 57 -4.447 -9.187 -0.587 1.00 0.00 C ATOM 843 C VAL A 57 -3.177 -8.603 0.021 1.00 0.00 C ATOM 844 O VAL A 57 -3.097 -8.407 1.233 1.00 0.00 O ATOM 845 CB VAL A 57 -5.507 -8.109 -0.859 1.00 0.00 C ATOM 846 CG1 VAL A 57 -6.778 -8.716 -1.466 1.00 0.00 C ATOM 847 CG2 VAL A 57 -5.887 -7.319 0.394 1.00 0.00 C ATOM 0 H VAL A 57 -5.220 -9.844 1.240 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.235 -9.625 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.049 -7.421 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.508 -7.927 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.533 -9.206 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.198 -9.447 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.639 -6.572 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.290 -7.999 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.003 -6.822 0.793 1.00 0.00 H new ATOM 857 N ILE A 58 -2.173 -8.351 -0.814 1.00 0.00 N ATOM 858 CA ILE A 58 -0.906 -7.801 -0.375 1.00 0.00 C ATOM 859 C ILE A 58 -1.026 -6.278 -0.524 1.00 0.00 C ATOM 860 O ILE A 58 -1.329 -5.787 -1.611 1.00 0.00 O ATOM 861 CB ILE A 58 0.220 -8.445 -1.209 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.231 -9.987 -1.118 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.590 -7.890 -0.816 1.00 0.00 C ATOM 864 CD1 ILE A 58 -0.070 -10.583 0.263 1.00 0.00 C ATOM 0 H ILE A 58 -2.221 -8.525 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.660 -8.017 0.665 1.00 0.00 H new ATOM 0 HB ILE A 58 0.011 -8.181 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.499 -10.378 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.210 -10.343 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.362 -8.364 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.608 -6.813 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.778 -8.097 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.035 -11.671 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.673 -10.233 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.062 -10.269 0.586 1.00 0.00 H new ATOM 876 N PHE A 59 -0.857 -5.515 0.560 1.00 0.00 N ATOM 877 CA PHE A 59 -0.986 -4.056 0.537 1.00 0.00 C ATOM 878 C PHE A 59 0.284 -3.436 1.088 1.00 0.00 C ATOM 879 O PHE A 59 0.683 -3.723 2.214 1.00 0.00 O ATOM 880 CB PHE A 59 -2.200 -3.574 1.349 1.00 0.00 C ATOM 881 CG PHE A 59 -3.510 -3.352 0.607 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.084 -4.357 -0.193 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.269 -2.205 0.901 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.434 -4.264 -0.574 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.634 -2.150 0.587 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.243 -3.237 -0.056 1.00 0.00 C ATOM 0 H PHE A 59 -0.627 -5.893 1.479 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.141 -3.744 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.383 -4.301 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.927 -2.637 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.488 -5.199 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.795 -1.358 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.850 -4.982 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.214 -1.274 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.318 -3.285 -0.152 1.00 0.00 H new ATOM 896 N LEU A 60 0.886 -2.566 0.279 1.00 0.00 N ATOM 897 CA LEU A 60 2.174 -1.968 0.534 1.00 0.00 C ATOM 898 C LEU A 60 2.052 -0.455 0.718 1.00 0.00 C ATOM 899 O LEU A 60 1.806 0.272 -0.244 1.00 0.00 O ATOM 900 CB LEU A 60 3.067 -2.280 -0.671 1.00 0.00 C ATOM 901 CG LEU A 60 3.155 -3.755 -1.095 1.00 0.00 C ATOM 902 CD1 LEU A 60 3.504 -4.696 0.059 1.00 0.00 C ATOM 903 CD2 LEU A 60 2.012 -4.286 -1.964 1.00 0.00 C ATOM 0 H LEU A 60 0.468 -2.255 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 60 2.599 -2.373 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.707 -1.701 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.074 -1.928 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 60 4.005 -3.751 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.550 -5.721 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.471 -4.416 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.740 -4.622 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.189 -5.336 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.069 -4.187 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.963 -3.713 -2.890 1.00 0.00 H new ATOM 915 N LYS A 61 2.202 0.041 1.945 1.00 0.00 N ATOM 916 CA LYS A 61 2.244 1.487 2.158 1.00 0.00 C ATOM 917 C LYS A 61 3.654 1.979 1.808 1.00 0.00 C ATOM 918 O LYS A 61 4.618 1.369 2.269 1.00 0.00 O ATOM 919 CB LYS A 61 1.904 1.793 3.620 1.00 0.00 C ATOM 920 CG LYS A 61 2.001 3.279 4.000 1.00 0.00 C ATOM 921 CD LYS A 61 1.126 4.223 3.165 1.00 0.00 C ATOM 922 CE LYS A 61 -0.350 3.814 3.119 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.915 3.544 4.455 1.00 0.00 N ATOM 0 H LYS A 61 2.295 -0.522 2.790 1.00 0.00 H new ATOM 0 HA LYS A 61 1.516 1.997 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.892 1.444 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.574 1.222 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.727 3.388 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.040 3.595 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.202 5.231 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.515 4.261 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.926 4.606 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.456 2.924 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.909 3.850 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.861 2.525 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.374 4.067 5.173 1.00 0.00 H new ATOM 937 N VAL A 62 3.795 3.040 1.000 1.00 0.00 N ATOM 938 CA VAL A 62 5.101 3.602 0.668 1.00 0.00 C ATOM 939 C VAL A 62 5.021 5.136 0.662 1.00 0.00 C ATOM 940 O VAL A 62 4.087 5.716 0.105 1.00 0.00 O ATOM 941 CB VAL A 62 5.593 3.050 -0.686 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.971 3.643 -1.004 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.748 1.525 -0.661 1.00 0.00 C ATOM 0 H VAL A 62 3.011 3.525 0.564 1.00 0.00 H new ATOM 0 HA VAL A 62 5.827 3.306 1.425 1.00 0.00 H new ATOM 0 HB VAL A 62 4.850 3.323 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.322 3.255 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.896 4.729 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.676 3.367 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.096 1.179 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.472 1.245 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.786 1.065 -0.435 1.00 0.00 H new ATOM 953 N ASP A 63 6.004 5.794 1.289 1.00 0.00 N ATOM 954 CA ASP A 63 6.112 7.244 1.338 1.00 0.00 C ATOM 955 C ASP A 63 7.110 7.707 0.273 1.00 0.00 C ATOM 956 O ASP A 63 8.325 7.658 0.463 1.00 0.00 O ATOM 957 CB ASP A 63 6.540 7.727 2.726 1.00 0.00 C ATOM 958 CG ASP A 63 6.739 9.238 2.708 1.00 0.00 C ATOM 959 OD1 ASP A 63 5.748 9.946 2.428 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.888 9.663 2.940 1.00 0.00 O ATOM 0 H ASP A 63 6.758 5.317 1.784 1.00 0.00 H new ATOM 0 HA ASP A 63 5.132 7.677 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.783 7.459 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.465 7.233 3.024 1.00 0.00 H new ATOM 965 N VAL A 64 6.559 8.169 -0.845 1.00 0.00 N ATOM 966 CA VAL A 64 7.225 8.727 -2.011 1.00 0.00 C ATOM 967 C VAL A 64 8.319 9.706 -1.591 1.00 0.00 C ATOM 968 O VAL A 64 9.422 9.664 -2.128 1.00 0.00 O ATOM 969 CB VAL A 64 6.147 9.429 -2.861 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.705 10.280 -4.004 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.193 8.386 -3.447 1.00 0.00 C ATOM 0 H VAL A 64 5.546 8.160 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 64 7.711 7.942 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 64 5.631 10.109 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.882 10.738 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.348 11.060 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.283 9.649 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.432 8.885 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.753 7.693 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.713 7.836 -2.637 1.00 0.00 H new ATOM 981 N ASP A 65 7.992 10.595 -0.647 1.00 0.00 N ATOM 982 CA ASP A 65 8.916 11.608 -0.165 1.00 0.00 C ATOM 983 C ASP A 65 10.208 10.958 0.342 1.00 0.00 C ATOM 984 O ASP A 65 11.299 11.321 -0.091 1.00 0.00 O ATOM 985 CB ASP A 65 8.246 12.442 0.929 1.00 0.00 C ATOM 986 CG ASP A 65 9.124 13.632 1.283 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.161 14.558 0.444 1.00 0.00 O ATOM 988 OD2 ASP A 65 9.717 13.604 2.382 1.00 0.00 O ATOM 0 H ASP A 65 7.076 10.626 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 65 9.182 12.272 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.270 12.788 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.076 11.828 1.814 1.00 0.00 H new ATOM 993 N ALA A 66 10.079 9.989 1.252 1.00 0.00 N ATOM 994 CA ALA A 66 11.215 9.283 1.816 1.00 0.00 C ATOM 995 C ALA A 66 11.891 8.400 0.766 1.00 0.00 C ATOM 996 O ALA A 66 13.058 8.619 0.438 1.00 0.00 O ATOM 997 CB ALA A 66 10.752 8.446 3.011 1.00 0.00 C ATOM 0 H ALA A 66 9.178 9.677 1.614 1.00 0.00 H new ATOM 0 HA ALA A 66 11.951 10.013 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.604 7.915 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.319 9.100 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.003 7.726 2.682 1.00 0.00 H new ATOM 1003 N VAL A 67 11.192 7.398 0.220 1.00 0.00 N ATOM 1004 CA VAL A 67 11.825 6.468 -0.714 1.00 0.00 C ATOM 1005 C VAL A 67 11.859 7.032 -2.140 1.00 0.00 C ATOM 1006 O VAL A 67 11.424 6.380 -3.091 1.00 0.00 O ATOM 1007 CB VAL A 67 11.192 5.076 -0.634 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.429 4.437 0.741 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.704 5.052 -0.962 1.00 0.00 C ATOM 0 H VAL A 67 10.206 7.214 0.406 1.00 0.00 H new ATOM 0 HA VAL A 67 12.866 6.348 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 67 11.693 4.491 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.968 3.450 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.500 4.342 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.987 5.065 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.330 4.031 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.166 5.690 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.549 5.418 -1.977 1.00 0.00 H new ATOM 1019 N ALA A 68 12.471 8.209 -2.300 1.00 0.00 N ATOM 1020 CA ALA A 68 12.614 8.890 -3.583 1.00 0.00 C ATOM 1021 C ALA A 68 13.131 7.934 -4.666 1.00 0.00 C ATOM 1022 O ALA A 68 12.629 7.930 -5.786 1.00 0.00 O ATOM 1023 CB ALA A 68 13.563 10.080 -3.414 1.00 0.00 C ATOM 0 H ALA A 68 12.888 8.722 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 68 11.636 9.246 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.675 10.594 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.154 10.770 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.537 9.724 -3.077 1.00 0.00 H new ATOM 1029 N ALA A 69 14.116 7.099 -4.317 1.00 0.00 N ATOM 1030 CA ALA A 69 14.701 6.114 -5.219 1.00 0.00 C ATOM 1031 C ALA A 69 13.632 5.157 -5.761 1.00 0.00 C ATOM 1032 O ALA A 69 13.555 4.910 -6.965 1.00 0.00 O ATOM 1033 CB ALA A 69 15.786 5.333 -4.470 1.00 0.00 C ATOM 0 H ALA A 69 14.532 7.092 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 69 15.142 6.632 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.229 4.594 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.559 6.021 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.343 4.828 -3.612 1.00 0.00 H new ATOM 1039 N VAL A 70 12.801 4.613 -4.870 1.00 0.00 N ATOM 1040 CA VAL A 70 11.750 3.683 -5.257 1.00 0.00 C ATOM 1041 C VAL A 70 10.723 4.443 -6.093 1.00 0.00 C ATOM 1042 O VAL A 70 10.258 3.937 -7.108 1.00 0.00 O ATOM 1043 CB VAL A 70 11.107 3.046 -4.014 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.054 2.001 -4.409 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.166 2.353 -3.147 1.00 0.00 C ATOM 0 H VAL A 70 12.840 4.805 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 70 12.166 2.869 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 70 10.633 3.851 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.616 1.567 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.272 2.478 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.525 1.215 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.688 1.910 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.657 1.572 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.907 3.084 -2.823 1.00 0.00 H new ATOM 1055 N ALA A 71 10.381 5.662 -5.671 1.00 0.00 N ATOM 1056 CA ALA A 71 9.419 6.492 -6.379 1.00 0.00 C ATOM 1057 C ALA A 71 9.851 6.726 -7.832 1.00 0.00 C ATOM 1058 O ALA A 71 9.072 6.485 -8.757 1.00 0.00 O ATOM 1059 CB ALA A 71 9.240 7.820 -5.642 1.00 0.00 C ATOM 0 H ALA A 71 10.765 6.096 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 71 8.462 5.970 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.519 8.438 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.877 7.630 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.197 8.340 -5.592 1.00 0.00 H new ATOM 1065 N GLU A 72 11.082 7.198 -8.057 1.00 0.00 N ATOM 1066 CA GLU A 72 11.544 7.449 -9.416 1.00 0.00 C ATOM 1067 C GLU A 72 11.648 6.130 -10.189 1.00 0.00 C ATOM 1068 O GLU A 72 11.267 6.086 -11.356 1.00 0.00 O ATOM 1069 CB GLU A 72 12.851 8.258 -9.423 1.00 0.00 C ATOM 1070 CG GLU A 72 14.064 7.532 -8.835 1.00 0.00 C ATOM 1071 CD GLU A 72 15.271 8.457 -8.731 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.863 8.736 -9.796 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.575 8.874 -7.592 1.00 0.00 O ATOM 0 H GLU A 72 11.762 7.409 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 72 10.810 8.067 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.079 8.542 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.693 9.181 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.814 7.145 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.314 6.674 -9.459 1.00 0.00 H new ATOM 1080 N ALA A 73 12.125 5.051 -9.553 1.00 0.00 N ATOM 1081 CA ALA A 73 12.221 3.751 -10.209 1.00 0.00 C ATOM 1082 C ALA A 73 10.838 3.277 -10.677 1.00 0.00 C ATOM 1083 O ALA A 73 10.684 2.824 -11.808 1.00 0.00 O ATOM 1084 CB ALA A 73 12.848 2.733 -9.252 1.00 0.00 C ATOM 0 H ALA A 73 12.449 5.058 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 73 12.858 3.845 -11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.918 1.764 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.846 3.068 -8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.228 2.642 -8.360 1.00 0.00 H new ATOM 1090 N ALA A 74 9.834 3.373 -9.802 1.00 0.00 N ATOM 1091 CA ALA A 74 8.458 2.995 -10.101 1.00 0.00 C ATOM 1092 C ALA A 74 7.864 3.937 -11.153 1.00 0.00 C ATOM 1093 O ALA A 74 7.047 3.521 -11.973 1.00 0.00 O ATOM 1094 CB ALA A 74 7.637 3.020 -8.809 1.00 0.00 C ATOM 0 H ALA A 74 9.960 3.722 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 74 8.436 1.986 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.607 2.738 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.062 2.316 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.656 4.024 -8.385 1.00 0.00 H new ATOM 1100 N GLY A 75 8.262 5.210 -11.109 1.00 0.00 N ATOM 1101 CA GLY A 75 7.839 6.246 -12.037 1.00 0.00 C ATOM 1102 C GLY A 75 6.659 7.029 -11.472 1.00 0.00 C ATOM 1103 O GLY A 75 5.669 7.256 -12.166 1.00 0.00 O ATOM 0 H GLY A 75 8.910 5.554 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.669 6.924 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.560 5.796 -12.990 1.00 0.00 H new ATOM 1107 N ILE A 76 6.749 7.433 -10.203 1.00 0.00 N ATOM 1108 CA ILE A 76 5.705 8.225 -9.563 1.00 0.00 C ATOM 1109 C ILE A 76 5.853 9.680 -10.011 1.00 0.00 C ATOM 1110 O ILE A 76 6.956 10.132 -10.311 1.00 0.00 O ATOM 1111 CB ILE A 76 5.789 8.093 -8.031 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.846 6.619 -7.594 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.598 8.787 -7.357 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.687 5.749 -8.074 1.00 0.00 C ATOM 0 H ILE A 76 7.542 7.221 -9.597 1.00 0.00 H new ATOM 0 HA ILE A 76 4.722 7.860 -9.861 1.00 0.00 H new ATOM 0 HB ILE A 76 6.711 8.581 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.778 6.186 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.880 6.581 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.679 8.680 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.598 9.845 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.669 8.329 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.823 4.730 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.749 6.148 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.661 5.747 -9.164 1.00 0.00 H new ATOM 1126 N THR A 77 4.732 10.400 -10.061 1.00 0.00 N ATOM 1127 CA THR A 77 4.667 11.797 -10.459 1.00 0.00 C ATOM 1128 C THR A 77 3.992 12.566 -9.324 1.00 0.00 C ATOM 1129 O THR A 77 4.667 13.124 -8.464 1.00 0.00 O ATOM 1130 CB THR A 77 3.914 11.901 -11.797 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.662 11.240 -11.706 1.00 0.00 O ATOM 1132 CG2 THR A 77 4.726 11.251 -12.923 1.00 0.00 C ATOM 0 H THR A 77 3.821 10.012 -9.818 1.00 0.00 H new ATOM 0 HA THR A 77 5.653 12.231 -10.623 1.00 0.00 H new ATOM 0 HB THR A 77 3.763 12.958 -12.017 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.190 11.314 -12.562 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.178 11.334 -13.862 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.687 11.757 -13.018 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.892 10.199 -12.691 1.00 0.00 H new ATOM 1140 N ALA A 78 2.659 12.584 -9.328 1.00 0.00 N ATOM 1141 CA ALA A 78 1.856 13.166 -8.266 1.00 0.00 C ATOM 1142 C ALA A 78 1.570 12.074 -7.231 1.00 0.00 C ATOM 1143 O ALA A 78 1.967 10.919 -7.404 1.00 0.00 O ATOM 1144 CB ALA A 78 0.572 13.760 -8.851 1.00 0.00 C ATOM 0 H ALA A 78 2.103 12.186 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 78 2.387 13.981 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.026 14.195 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.826 14.534 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.000 12.975 -9.345 1.00 0.00 H new ATOM 1150 N MET A 79 0.879 12.430 -6.148 1.00 0.00 N ATOM 1151 CA MET A 79 0.552 11.520 -5.066 1.00 0.00 C ATOM 1152 C MET A 79 -0.896 11.783 -4.627 1.00 0.00 C ATOM 1153 O MET A 79 -1.370 12.908 -4.788 1.00 0.00 O ATOM 1154 CB MET A 79 1.529 11.732 -3.893 1.00 0.00 C ATOM 1155 CG MET A 79 3.005 11.511 -4.264 1.00 0.00 C ATOM 1156 SD MET A 79 3.902 12.829 -5.141 1.00 0.00 S ATOM 1157 CE MET A 79 3.627 14.255 -4.066 1.00 0.00 C ATOM 0 H MET A 79 0.528 13.376 -6.002 1.00 0.00 H new ATOM 0 HA MET A 79 0.644 10.486 -5.399 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.408 12.746 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.262 11.053 -3.083 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.548 11.301 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.059 10.612 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.537 14.853 -4.015 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.816 14.862 -4.468 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.362 13.911 -3.066 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.606 10.779 -4.086 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.135 9.414 -3.937 1.00 0.00 C ATOM 1169 C PRO A 80 -1.289 8.680 -5.270 1.00 0.00 C ATOM 1170 O PRO A 80 -2.244 8.912 -6.013 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.982 8.798 -2.829 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.303 9.548 -2.949 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.922 10.929 -3.487 1.00 0.00 C ATOM 0 HA PRO A 80 -0.080 9.353 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.113 7.725 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.527 8.937 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.989 9.036 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.804 9.624 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.648 11.275 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.904 11.668 -2.686 1.00 0.00 H new ATOM 1181 N THR A 81 -0.315 7.832 -5.588 1.00 0.00 N ATOM 1182 CA THR A 81 -0.295 7.020 -6.792 1.00 0.00 C ATOM 1183 C THR A 81 -0.492 5.566 -6.364 1.00 0.00 C ATOM 1184 O THR A 81 0.127 5.113 -5.399 1.00 0.00 O ATOM 1185 CB THR A 81 1.014 7.274 -7.552 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.960 8.536 -8.180 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.243 6.238 -8.648 1.00 0.00 C ATOM 0 H THR A 81 0.503 7.690 -4.996 1.00 0.00 H new ATOM 0 HA THR A 81 -1.097 7.276 -7.485 1.00 0.00 H new ATOM 0 HB THR A 81 1.822 7.219 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.441 9.193 -7.635 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.180 6.453 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.293 5.244 -8.204 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.420 6.276 -9.362 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.358 4.844 -7.079 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.733 3.476 -6.770 1.00 0.00 C ATOM 1197 C PHE A 82 -1.370 2.555 -7.921 1.00 0.00 C ATOM 1198 O PHE A 82 -1.969 2.661 -8.987 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.238 3.421 -6.504 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.605 3.986 -5.150 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.318 3.230 -4.001 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.099 5.299 -5.022 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.579 3.763 -2.731 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.339 5.836 -3.745 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.055 5.075 -2.599 1.00 0.00 C ATOM 0 H PHE A 82 -1.826 5.210 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.192 3.143 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.762 3.977 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.578 2.387 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.897 2.240 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.293 5.892 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.413 3.160 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.742 6.833 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.203 5.500 -1.617 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.405 1.654 -7.706 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.027 0.649 -8.694 1.00 0.00 C ATOM 1217 C HIS A 83 -0.470 -0.716 -8.192 1.00 0.00 C ATOM 1218 O HIS A 83 -0.541 -0.943 -6.981 1.00 0.00 O ATOM 1219 CB HIS A 83 1.486 0.541 -8.898 1.00 0.00 C ATOM 1220 CG HIS A 83 2.229 1.725 -9.434 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.552 1.611 -9.856 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.842 3.025 -9.543 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.880 2.838 -10.272 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.875 3.715 -10.140 1.00 0.00 N ATOM 0 H HIS A 83 0.133 1.605 -6.841 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.497 0.949 -9.631 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.930 0.280 -7.938 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.669 -0.296 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.898 3.440 -9.221 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.850 3.095 -10.671 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.875 4.695 -10.424 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.698 -1.623 -9.138 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.981 -3.023 -8.894 1.00 0.00 C ATOM 1234 C VAL A 84 0.123 -3.816 -9.587 1.00 0.00 C ATOM 1235 O VAL A 84 0.505 -3.455 -10.704 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.391 -3.352 -9.410 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.476 -4.449 -10.440 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.297 -3.682 -8.230 1.00 0.00 C ATOM 0 H VAL A 84 -0.689 -1.388 -10.131 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.983 -3.280 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.718 -2.454 -9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.516 -4.595 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.890 -4.172 -11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.084 -5.375 -10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.298 -3.916 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.896 -4.542 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.346 -2.825 -7.558 1.00 0.00 H new ATOM 1248 N TYR A 85 0.636 -4.880 -8.955 1.00 0.00 N ATOM 1249 CA TYR A 85 1.709 -5.669 -9.556 1.00 0.00 C ATOM 1250 C TYR A 85 1.478 -7.176 -9.412 1.00 0.00 C ATOM 1251 O TYR A 85 2.145 -7.835 -8.618 1.00 0.00 O ATOM 1252 CB TYR A 85 3.078 -5.283 -8.963 1.00 0.00 C ATOM 1253 CG TYR A 85 3.648 -3.930 -9.337 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.307 -2.795 -8.581 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.731 -3.861 -10.238 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.006 -1.592 -8.770 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.373 -2.634 -10.481 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.988 -1.493 -9.766 1.00 0.00 C ATOM 1259 OH TYR A 85 5.567 -0.289 -10.033 1.00 0.00 O ATOM 0 H TYR A 85 0.327 -5.208 -8.040 1.00 0.00 H new ATOM 0 HA TYR A 85 1.705 -5.437 -10.621 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.998 -5.325 -7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.799 -6.045 -9.259 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.508 -2.848 -7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.068 -4.754 -10.743 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.786 -0.739 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.161 -2.572 -11.217 1.00 0.00 H new ATOM 0 HH TYR A 85 4.972 0.432 -9.739 1.00 0.00 H new ATOM 1269 N LYS A 86 0.545 -7.747 -10.179 1.00 0.00 N ATOM 1270 CA LYS A 86 0.409 -9.198 -10.189 1.00 0.00 C ATOM 1271 C LYS A 86 1.632 -9.773 -10.915 1.00 0.00 C ATOM 1272 O LYS A 86 2.234 -9.095 -11.751 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.905 -9.641 -10.845 1.00 0.00 C ATOM 1274 CG LYS A 86 -2.104 -9.060 -10.085 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.414 -9.814 -10.361 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.490 -11.140 -9.589 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.843 -11.725 -9.647 1.00 0.00 N ATOM 0 H LYS A 86 -0.106 -7.243 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 86 0.370 -9.577 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.930 -9.311 -11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.965 -10.729 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.896 -9.085 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.229 -8.013 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.260 -9.185 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.500 -10.011 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.770 -11.845 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.209 -10.973 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.890 -12.554 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.540 -11.018 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.054 -12.017 -10.623 1.00 0.00 H new ATOM 1291 N ASP A 87 2.001 -11.008 -10.565 1.00 0.00 N ATOM 1292 CA ASP A 87 3.164 -11.772 -11.017 1.00 0.00 C ATOM 1293 C ASP A 87 4.433 -11.134 -10.451 1.00 0.00 C ATOM 1294 O ASP A 87 5.141 -11.721 -9.639 1.00 0.00 O ATOM 1295 CB ASP A 87 3.212 -11.873 -12.550 1.00 0.00 C ATOM 1296 CG ASP A 87 4.420 -12.686 -12.997 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.299 -13.929 -12.998 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.442 -12.045 -13.325 1.00 0.00 O ATOM 0 H ASP A 87 1.444 -11.544 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 87 3.086 -12.794 -10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.298 -12.338 -12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.258 -10.874 -12.984 1.00 0.00 H new ATOM 1303 N GLY A 88 4.675 -9.903 -10.885 1.00 0.00 N ATOM 1304 CA GLY A 88 5.779 -9.047 -10.492 1.00 0.00 C ATOM 1305 C GLY A 88 6.045 -7.996 -11.568 1.00 0.00 C ATOM 1306 O GLY A 88 7.195 -7.628 -11.797 1.00 0.00 O ATOM 0 H GLY A 88 4.064 -9.450 -11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.549 -8.558 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.674 -9.648 -10.332 1.00 0.00 H new ATOM 1310 N VAL A 89 4.991 -7.511 -12.236 1.00 0.00 N ATOM 1311 CA VAL A 89 5.074 -6.514 -13.295 1.00 0.00 C ATOM 1312 C VAL A 89 3.896 -5.569 -13.092 1.00 0.00 C ATOM 1313 O VAL A 89 2.850 -6.018 -12.631 1.00 0.00 O ATOM 1314 CB VAL A 89 5.015 -7.200 -14.675 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.120 -6.175 -15.812 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.139 -8.233 -14.843 1.00 0.00 C ATOM 0 H VAL A 89 4.035 -7.813 -12.045 1.00 0.00 H new ATOM 0 HA VAL A 89 6.014 -5.963 -13.257 1.00 0.00 H new ATOM 0 HB VAL A 89 4.051 -7.706 -14.726 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.075 -6.690 -16.772 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.294 -5.467 -15.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.065 -5.638 -15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.064 -8.695 -15.827 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.105 -7.738 -14.747 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.046 -9.000 -14.074 1.00 0.00 H new ATOM 1326 N LYS A 90 4.070 -4.273 -13.383 1.00 0.00 N ATOM 1327 CA LYS A 90 3.023 -3.267 -13.235 1.00 0.00 C ATOM 1328 C LYS A 90 1.804 -3.713 -14.053 1.00 0.00 C ATOM 1329 O LYS A 90 1.782 -3.599 -15.276 1.00 0.00 O ATOM 1330 CB LYS A 90 3.560 -1.890 -13.661 1.00 0.00 C ATOM 1331 CG LYS A 90 2.671 -0.756 -13.124 1.00 0.00 C ATOM 1332 CD LYS A 90 3.104 0.633 -13.620 1.00 0.00 C ATOM 1333 CE LYS A 90 4.550 0.983 -13.250 1.00 0.00 C ATOM 1334 NZ LYS A 90 4.846 2.399 -13.530 1.00 0.00 N ATOM 0 H LYS A 90 4.951 -3.895 -13.731 1.00 0.00 H new ATOM 0 HA LYS A 90 2.713 -3.170 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.578 -1.764 -13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.606 -1.835 -14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.639 -0.938 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.693 -0.770 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.993 0.676 -14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.436 1.386 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.717 0.776 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.235 0.348 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.623 2.719 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.124 2.505 -14.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.000 2.974 -13.344 1.00 0.00 H new ATOM 1348 N ALA A 91 0.804 -4.251 -13.358 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.403 -4.827 -13.929 1.00 0.00 C ATOM 1350 C ALA A 91 -1.401 -3.746 -14.309 1.00 0.00 C ATOM 1351 O ALA A 91 -2.071 -3.832 -15.334 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.030 -5.765 -12.888 1.00 0.00 C ATOM 0 H ALA A 91 0.817 -4.297 -12.339 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.143 -5.375 -14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.938 -6.208 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.322 -6.555 -12.637 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.276 -5.199 -11.989 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.530 -2.757 -13.432 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.487 -1.675 -13.534 1.00 0.00 C ATOM 1360 C ASP A 92 -1.950 -0.550 -12.666 1.00 0.00 C ATOM 1361 O ASP A 92 -1.100 -0.803 -11.807 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.846 -2.172 -13.026 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.034 -1.311 -13.435 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.805 -0.183 -13.921 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.163 -1.815 -13.238 1.00 0.00 O ATOM 0 H ASP A 92 -0.945 -2.689 -12.599 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.622 -1.327 -14.558 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.007 -3.186 -13.393 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.813 -2.228 -11.938 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.408 0.676 -12.895 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.964 1.830 -12.141 1.00 0.00 C ATOM 1372 C ASP A 93 -2.996 2.943 -12.315 1.00 0.00 C ATOM 1373 O ASP A 93 -3.821 2.895 -13.225 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.578 2.246 -12.674 1.00 0.00 C ATOM 1375 CG ASP A 93 0.081 3.536 -12.183 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.358 4.099 -11.163 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.070 3.928 -12.840 1.00 0.00 O ATOM 0 H ASP A 93 -3.100 0.892 -13.613 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.874 1.611 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.110 1.429 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.657 2.316 -13.759 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.918 3.942 -11.447 1.00 0.00 N ATOM 1383 CA LEU A 94 -3.677 5.184 -11.466 1.00 0.00 C ATOM 1384 C LEU A 94 -3.033 6.174 -10.496 1.00 0.00 C ATOM 1385 O LEU A 94 -2.328 5.778 -9.568 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.163 4.960 -11.140 1.00 0.00 C ATOM 1387 CG LEU A 94 -5.460 4.464 -9.715 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -5.613 5.602 -8.690 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.790 3.713 -9.754 1.00 0.00 C ATOM 0 H LEU A 94 -2.277 3.903 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.649 5.596 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.697 5.897 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.568 4.238 -11.849 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.618 3.846 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.821 5.180 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.690 6.181 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.436 6.252 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.031 3.347 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.578 4.386 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.712 2.870 -10.441 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.296 7.466 -10.703 1.00 0.00 N ATOM 1402 CA VAL A 95 -2.784 8.555 -9.896 1.00 0.00 C ATOM 1403 C VAL A 95 -3.972 9.367 -9.395 1.00 0.00 C ATOM 1404 O VAL A 95 -4.847 9.701 -10.190 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.854 9.432 -10.748 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.266 10.580 -9.923 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -0.711 8.615 -11.367 1.00 0.00 C ATOM 0 H VAL A 95 -3.893 7.785 -11.466 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.213 8.174 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.464 9.844 -11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.612 11.183 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.074 11.202 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.693 10.173 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.076 9.271 -11.962 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.119 8.158 -10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.126 7.835 -12.005 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.000 9.683 -8.098 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.035 10.505 -7.497 1.00 0.00 C ATOM 1419 C GLY A 96 -5.616 9.842 -6.251 1.00 0.00 C ATOM 1420 O GLY A 96 -5.536 8.627 -6.074 1.00 0.00 O ATOM 0 H GLY A 96 -3.293 9.368 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.622 11.479 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.830 10.681 -8.222 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.263 10.641 -5.400 1.00 0.00 N ATOM 1425 CA ALA A 97 -6.903 10.199 -4.163 1.00 0.00 C ATOM 1426 C ALA A 97 -8.243 9.496 -4.443 1.00 0.00 C ATOM 1427 O ALA A 97 -9.209 9.644 -3.695 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.095 11.440 -3.281 1.00 0.00 C ATOM 0 H ALA A 97 -6.358 11.644 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.278 9.465 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.572 11.151 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.125 11.890 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.725 12.162 -3.801 1.00 0.00 H new ATOM 1434 N SER A 98 -8.311 8.706 -5.514 1.00 0.00 N ATOM 1435 CA SER A 98 -9.522 8.048 -5.972 1.00 0.00 C ATOM 1436 C SER A 98 -9.801 6.795 -5.142 1.00 0.00 C ATOM 1437 O SER A 98 -9.673 5.677 -5.635 1.00 0.00 O ATOM 1438 CB SER A 98 -9.347 7.737 -7.462 1.00 0.00 C ATOM 1439 OG SER A 98 -8.778 8.856 -8.120 1.00 0.00 O ATOM 0 H SER A 98 -7.500 8.504 -6.099 1.00 0.00 H new ATOM 0 HA SER A 98 -10.390 8.694 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.706 6.864 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.311 7.492 -7.908 1.00 0.00 H new ATOM 0 HG SER A 98 -8.666 8.653 -9.072 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.192 6.985 -3.879 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.496 5.916 -2.929 1.00 0.00 C ATOM 1447 C GLN A 99 -11.442 4.863 -3.532 1.00 0.00 C ATOM 1448 O GLN A 99 -11.274 3.662 -3.326 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.105 6.556 -1.670 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.286 5.571 -0.505 1.00 0.00 C ATOM 1451 CD GLN A 99 -9.989 4.901 -0.055 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -9.974 3.716 0.256 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -8.884 5.640 -0.007 1.00 0.00 N ATOM 0 H GLN A 99 -10.309 7.916 -3.479 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.578 5.387 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.466 7.377 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.073 6.987 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.723 6.101 0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.998 4.801 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.917 6.625 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.003 5.222 0.293 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.448 5.318 -4.276 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.397 4.459 -4.970 1.00 0.00 C ATOM 1464 C ASP A 100 -12.664 3.570 -5.979 1.00 0.00 C ATOM 1465 O ASP A 100 -12.877 2.360 -6.031 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.451 5.334 -5.673 1.00 0.00 C ATOM 1467 CG ASP A 100 -13.873 6.235 -6.767 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.800 6.833 -6.514 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.501 6.297 -7.843 1.00 0.00 O ATOM 0 H ASP A 100 -12.627 6.313 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.898 3.810 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.212 4.689 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.949 5.955 -4.929 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.787 4.177 -6.781 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.041 3.473 -7.807 1.00 0.00 C ATOM 1476 C LYS A 101 -10.066 2.499 -7.149 1.00 0.00 C ATOM 1477 O LYS A 101 -9.890 1.390 -7.634 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.324 4.474 -8.719 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.442 4.082 -10.195 1.00 0.00 C ATOM 1480 CD LYS A 101 -9.956 2.657 -10.505 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.692 2.461 -12.002 1.00 0.00 C ATOM 1482 NZ LYS A 101 -10.909 2.682 -12.802 1.00 0.00 N ATOM 0 H LYS A 101 -11.579 5.174 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.723 2.896 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.747 5.468 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.272 4.531 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.484 4.174 -10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.869 4.789 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.043 2.454 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.703 1.937 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.912 3.150 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.319 1.452 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.724 2.426 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.681 2.092 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.183 3.684 -12.748 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.427 2.907 -6.051 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.556 2.038 -5.263 1.00 0.00 C ATOM 1498 C LEU A 102 -9.333 0.776 -4.905 1.00 0.00 C ATOM 1499 O LEU A 102 -8.932 -0.334 -5.245 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.110 2.762 -3.987 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.491 1.855 -2.910 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.264 1.096 -3.422 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -7.129 2.717 -1.699 1.00 0.00 C ATOM 0 H LEU A 102 -9.501 3.855 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.668 1.777 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.384 3.529 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.971 3.275 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.223 1.098 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.864 0.470 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.550 0.469 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.503 1.808 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.688 2.089 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.412 3.482 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.028 3.195 -1.311 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.456 0.964 -4.213 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.335 -0.132 -3.823 1.00 0.00 C ATOM 1517 C LYS A 103 -11.613 -1.013 -5.051 1.00 0.00 C ATOM 1518 O LYS A 103 -11.419 -2.231 -5.021 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.613 0.465 -3.209 1.00 0.00 C ATOM 1520 CG LYS A 103 -13.353 -0.487 -2.261 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.086 -1.594 -3.026 1.00 0.00 C ATOM 1522 CE LYS A 103 -15.021 -2.390 -2.107 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.274 -3.099 -1.052 1.00 0.00 N ATOM 0 H LYS A 103 -10.780 1.882 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.874 -0.771 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.353 1.373 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.288 0.758 -4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.642 -0.934 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.069 0.078 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.662 -1.154 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.358 -2.268 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.744 -1.714 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.587 -3.110 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.922 -3.719 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.522 -3.672 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.851 -2.407 -0.401 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.023 -0.377 -6.152 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.287 -1.071 -7.405 1.00 0.00 C ATOM 1539 C ALA A 104 -11.056 -1.850 -7.890 1.00 0.00 C ATOM 1540 O ALA A 104 -11.223 -2.965 -8.372 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.775 -0.084 -8.468 1.00 0.00 C ATOM 0 H ALA A 104 -12.179 0.630 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.077 -1.801 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.968 -0.618 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.693 0.394 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.012 0.676 -8.637 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.833 -1.309 -7.778 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.622 -2.027 -8.165 1.00 0.00 C ATOM 1549 C LEU A 105 -8.519 -3.296 -7.329 1.00 0.00 C ATOM 1550 O LEU A 105 -8.298 -4.373 -7.875 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.327 -1.219 -7.940 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.017 -0.077 -8.917 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -5.742 0.625 -8.426 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.763 -0.587 -10.340 1.00 0.00 C ATOM 0 H LEU A 105 -9.663 -0.370 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.708 -2.230 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.365 -0.799 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.489 -1.916 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.876 0.594 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.495 1.444 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.907 1.019 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.919 -0.089 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.548 0.257 -10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.913 -1.269 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.647 -1.112 -10.702 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.655 -3.180 -6.005 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.530 -4.353 -5.151 1.00 0.00 C ATOM 1568 C VAL A 106 -9.543 -5.409 -5.600 1.00 0.00 C ATOM 1569 O VAL A 106 -9.175 -6.558 -5.826 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.700 -4.002 -3.664 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.362 -5.245 -2.829 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.774 -2.871 -3.202 1.00 0.00 C ATOM 0 H VAL A 106 -8.847 -2.306 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.523 -4.757 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.730 -3.671 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.477 -5.014 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.035 -6.059 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.333 -5.546 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.943 -2.672 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.736 -3.166 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.984 -1.970 -3.779 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.808 -5.013 -5.757 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.857 -5.920 -6.214 1.00 0.00 C ATOM 1584 C ALA A 107 -11.466 -6.572 -7.551 1.00 0.00 C ATOM 1585 O ALA A 107 -11.399 -7.797 -7.649 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.178 -5.152 -6.333 1.00 0.00 C ATOM 0 H ALA A 107 -11.130 -4.063 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.984 -6.722 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.962 -5.828 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.450 -4.742 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.063 -4.339 -7.050 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.197 -5.746 -8.565 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.778 -6.142 -9.904 1.00 0.00 C ATOM 1594 C LYS A 108 -9.673 -7.193 -9.846 1.00 0.00 C ATOM 1595 O LYS A 108 -9.830 -8.304 -10.342 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.303 -4.888 -10.657 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.683 -5.256 -12.005 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.281 -4.016 -12.803 1.00 0.00 C ATOM 1599 CE LYS A 108 -8.700 -4.501 -14.128 1.00 0.00 C ATOM 1600 NZ LYS A 108 -8.003 -3.416 -14.843 1.00 0.00 N ATOM 0 H LYS A 108 -11.270 -4.734 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.620 -6.592 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.145 -4.213 -10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.572 -4.352 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.807 -5.884 -11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.394 -5.845 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.144 -3.372 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.547 -3.426 -12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.006 -5.321 -13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.500 -4.895 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.438 -3.818 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.702 -2.752 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.377 -2.912 -14.183 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.538 -6.816 -9.265 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.344 -7.639 -9.274 1.00 0.00 C ATOM 1616 C HIS A 109 -7.459 -8.824 -8.315 1.00 0.00 C ATOM 1617 O HIS A 109 -6.753 -9.812 -8.501 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.136 -6.725 -9.049 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.974 -5.794 -10.231 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.538 -6.269 -11.468 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.341 -4.481 -10.380 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.645 -5.225 -12.296 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.095 -4.122 -11.685 1.00 0.00 N ATOM 0 H HIS A 109 -8.425 -5.929 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.208 -8.122 -10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.270 -6.147 -8.134 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.234 -7.323 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.750 -3.843 -9.610 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.395 -5.267 -13.346 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.229 -3.201 -12.103 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.329 -8.758 -7.300 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.612 -9.921 -6.471 1.00 0.00 C ATOM 1633 C ALA A 110 -9.393 -10.925 -7.322 1.00 0.00 C ATOM 1634 O ALA A 110 -9.060 -12.107 -7.356 1.00 0.00 O ATOM 1635 CB ALA A 110 -9.409 -9.521 -5.226 1.00 0.00 C ATOM 0 H ALA A 110 -8.842 -7.916 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.682 -10.370 -6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.609 -10.406 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.833 -8.804 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.353 -9.068 -5.528 1.00 0.00 H new ATOM 1641 N ALA A 111 -10.429 -10.454 -8.023 1.00 0.00 N ATOM 1642 CA ALA A 111 -11.239 -11.277 -8.910 1.00 0.00 C ATOM 1643 C ALA A 111 -10.530 -11.440 -10.261 1.00 0.00 C ATOM 1644 O ALA A 111 -11.096 -11.122 -11.306 1.00 0.00 O ATOM 1645 CB ALA A 111 -12.617 -10.624 -9.066 1.00 0.00 C ATOM 0 H ALA A 111 -10.727 -9.479 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.373 -12.274 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.234 -11.231 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.097 -10.549 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.501 -9.627 -9.490 1.00 0.00 H new ATOM 1651 N ALA A 112 -9.298 -11.951 -10.236 1.00 0.00 N ATOM 1652 CA ALA A 112 -8.457 -12.182 -11.399 1.00 0.00 C ATOM 1653 C ALA A 112 -7.342 -13.127 -10.955 1.00 0.00 C ATOM 1654 O ALA A 112 -6.284 -13.153 -11.621 1.00 0.00 O ATOM 1655 CB ALA A 112 -7.896 -10.852 -11.914 1.00 0.00 C ATOM 1656 OXT ALA A 112 -7.549 -13.782 -9.911 1.00 0.00 O ATOM 0 H ALA A 112 -8.845 -12.225 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.020 -12.626 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.267 -11.035 -12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.719 -10.193 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.302 -10.380 -11.131 1.00 0.00 H new TER 1662 ALA A 112