USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot -70:sc= -6.15! USER MOD Set 1.2: A 34 THR OG1 : rot 65:sc= 0.651! USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= -1.05 (180deg=-1.05) USER MOD Single : A 1 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0959) USER MOD Single : A 2 SER OG : rot 139:sc= -6.03! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0722) USER MOD Single : A 21 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.97 K(o=-2,f=-1.1) USER MOD Single : A 24 SER OG : rot -161:sc= -0.42 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.015 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -88:sc= -0.619! USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0664 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.78) USER MOD Single : A 62 SER OG : rot -118:sc= -3.14! USER MOD Single : A 67 GLN : amide:sc= 0.151 X(o=0.15,f=-0.0094) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= -1.41 (180deg=-1.61) USER MOD Single : A 74 SER OG : rot 108:sc= 0.778 USER MOD Single : A 75 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 9.661 11.510 -0.001 1.00 0.00 N ATOM 2 CA MET A 0 10.536 11.126 1.142 1.00 0.00 C ATOM 3 C MET A 0 9.666 10.662 2.314 1.00 0.00 C ATOM 4 O MET A 0 8.978 11.444 2.933 1.00 0.00 O ATOM 5 CB MET A 0 11.371 12.335 1.572 1.00 0.00 C ATOM 6 CG MET A 0 12.456 12.600 0.526 1.00 0.00 C ATOM 7 SD MET A 0 13.652 11.243 0.544 1.00 0.00 S ATOM 8 CE MET A 0 14.754 11.892 -0.738 1.00 0.00 C ATOM 0 H1 MET A 0 10.250 11.825 -0.798 1.00 0.00 H new ATOM 0 H2 MET A 0 9.092 10.690 -0.294 1.00 0.00 H new ATOM 0 H3 MET A 0 9.029 12.283 0.290 1.00 0.00 H new ATOM 0 HA MET A 0 11.199 10.316 0.839 1.00 0.00 H new ATOM 0 HB2 MET A 0 10.733 13.212 1.680 1.00 0.00 H new ATOM 0 HB3 MET A 0 11.826 12.149 2.545 1.00 0.00 H new ATOM 0 HG2 MET A 0 12.008 12.692 -0.463 1.00 0.00 H new ATOM 0 HG3 MET A 0 12.958 13.544 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 0 15.581 11.198 -0.893 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.200 12.009 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 0 15.146 12.860 -0.425 1.00 0.00 H new ATOM 18 N LYS A 1 9.693 9.392 2.619 1.00 0.00 N ATOM 19 CA LYS A 1 8.869 8.875 3.749 1.00 0.00 C ATOM 20 C LYS A 1 9.489 9.319 5.074 1.00 0.00 C ATOM 21 O LYS A 1 10.020 10.406 5.181 1.00 0.00 O ATOM 22 CB LYS A 1 8.824 7.348 3.681 1.00 0.00 C ATOM 23 CG LYS A 1 10.245 6.798 3.829 1.00 0.00 C ATOM 24 CD LYS A 1 10.268 5.315 3.456 1.00 0.00 C ATOM 25 CE LYS A 1 11.634 4.962 2.862 1.00 0.00 C ATOM 26 NZ LYS A 1 12.689 5.142 3.900 1.00 0.00 N ATOM 0 H LYS A 1 10.251 8.690 2.133 1.00 0.00 H new ATOM 0 HA LYS A 1 7.855 9.269 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.184 6.955 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.393 7.026 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.929 7.354 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 1 10.591 6.930 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.073 4.704 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 1 9.479 5.097 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 1 11.632 3.932 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.843 5.597 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.578 4.715 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.836 6.157 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.390 4.680 4.783 1.00 0.00 H new ATOM 40 N SER A 2 9.444 8.495 6.083 1.00 0.00 N ATOM 41 CA SER A 2 10.050 8.898 7.376 1.00 0.00 C ATOM 42 C SER A 2 11.242 7.974 7.620 1.00 0.00 C ATOM 43 O SER A 2 11.562 7.194 6.756 1.00 0.00 O ATOM 44 CB SER A 2 9.003 8.767 8.486 1.00 0.00 C ATOM 45 OG SER A 2 9.229 7.570 9.211 1.00 0.00 O ATOM 0 H SER A 2 9.017 7.569 6.067 1.00 0.00 H new ATOM 0 HA SER A 2 10.386 9.935 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.058 9.626 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.001 8.761 8.057 1.00 0.00 H new ATOM 0 HG SER A 2 9.103 7.739 10.168 1.00 0.00 H new ATOM 51 N PRO A 3 11.876 8.091 8.761 1.00 0.00 N ATOM 52 CA PRO A 3 13.053 7.253 9.090 1.00 0.00 C ATOM 53 C PRO A 3 12.699 5.744 9.115 1.00 0.00 C ATOM 54 O PRO A 3 12.665 5.143 10.171 1.00 0.00 O ATOM 55 CB PRO A 3 13.476 7.715 10.493 1.00 0.00 C ATOM 56 CG PRO A 3 12.540 8.876 10.915 1.00 0.00 C ATOM 57 CD PRO A 3 11.498 9.066 9.804 1.00 0.00 C ATOM 0 HA PRO A 3 13.840 7.366 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.406 6.891 11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.515 8.045 10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.051 8.648 11.862 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.111 9.792 11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.489 8.880 10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.514 10.085 9.417 1.00 0.00 H new ATOM 65 N GLU A 4 12.453 5.114 7.979 1.00 0.00 N ATOM 66 CA GLU A 4 12.133 3.662 7.984 1.00 0.00 C ATOM 67 C GLU A 4 10.689 3.444 8.428 1.00 0.00 C ATOM 68 O GLU A 4 10.421 2.655 9.310 1.00 0.00 O ATOM 69 CB GLU A 4 13.077 2.931 8.940 1.00 0.00 C ATOM 70 CG GLU A 4 14.489 3.501 8.791 1.00 0.00 C ATOM 71 CD GLU A 4 15.516 2.416 9.117 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.105 1.325 9.473 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.698 2.695 9.002 1.00 0.00 O ATOM 0 H GLU A 4 12.463 5.552 7.058 1.00 0.00 H new ATOM 0 HA GLU A 4 12.259 3.269 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.733 3.046 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.079 1.863 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.640 3.865 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.621 4.353 9.458 1.00 0.00 H new ATOM 80 N GLU A 5 9.751 4.123 7.822 1.00 0.00 N ATOM 81 CA GLU A 5 8.337 3.916 8.228 1.00 0.00 C ATOM 82 C GLU A 5 7.580 3.229 7.099 1.00 0.00 C ATOM 83 O GLU A 5 6.659 2.470 7.328 1.00 0.00 O ATOM 84 CB GLU A 5 7.688 5.249 8.530 1.00 0.00 C ATOM 85 CG GLU A 5 7.508 5.399 10.042 1.00 0.00 C ATOM 86 CD GLU A 5 6.019 5.473 10.377 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.273 5.984 9.558 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.650 5.021 11.448 1.00 0.00 O ATOM 0 H GLU A 5 9.902 4.801 7.075 1.00 0.00 H new ATOM 0 HA GLU A 5 8.309 3.292 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.304 6.061 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.722 5.317 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.966 4.555 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.015 6.299 10.391 1.00 0.00 H new ATOM 95 N LEU A 6 7.943 3.502 5.877 1.00 0.00 N ATOM 96 CA LEU A 6 7.222 2.879 4.746 1.00 0.00 C ATOM 97 C LEU A 6 7.685 1.437 4.559 1.00 0.00 C ATOM 98 O LEU A 6 6.893 0.524 4.499 1.00 0.00 O ATOM 99 CB LEU A 6 7.528 3.626 3.454 1.00 0.00 C ATOM 100 CG LEU A 6 6.263 3.883 2.645 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.563 3.672 1.160 1.00 0.00 C ATOM 102 CD2 LEU A 6 5.113 2.946 3.033 1.00 0.00 C ATOM 0 H LEU A 6 8.706 4.128 5.619 1.00 0.00 H new ATOM 0 HA LEU A 6 6.155 2.915 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.011 4.575 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.232 3.048 2.856 1.00 0.00 H new ATOM 0 HG LEU A 6 5.954 4.907 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.660 3.855 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.345 4.363 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.898 2.647 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.237 3.174 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.413 1.912 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.870 3.085 4.086 1.00 0.00 H new ATOM 114 N LYS A 7 8.966 1.232 4.437 1.00 0.00 N ATOM 115 CA LYS A 7 9.481 -0.148 4.213 1.00 0.00 C ATOM 116 C LYS A 7 8.748 -1.142 5.116 1.00 0.00 C ATOM 117 O LYS A 7 8.676 -2.320 4.824 1.00 0.00 O ATOM 118 CB LYS A 7 10.979 -0.193 4.501 1.00 0.00 C ATOM 119 CG LYS A 7 11.667 -1.060 3.445 1.00 0.00 C ATOM 120 CD LYS A 7 13.180 -1.037 3.675 1.00 0.00 C ATOM 121 CE LYS A 7 13.879 -0.462 2.441 1.00 0.00 C ATOM 122 NZ LYS A 7 14.366 0.916 2.741 1.00 0.00 N ATOM 0 H LYS A 7 9.679 1.960 4.483 1.00 0.00 H new ATOM 0 HA LYS A 7 9.306 -0.424 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.394 0.815 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.158 -0.600 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.295 -2.083 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.434 -0.690 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.415 -0.434 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.543 -2.045 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.715 -1.100 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.190 -0.440 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.841 1.307 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.560 1.521 2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.037 0.882 3.535 1.00 0.00 H new ATOM 136 N GLY A 8 8.203 -0.689 6.208 1.00 0.00 N ATOM 137 CA GLY A 8 7.482 -1.630 7.111 1.00 0.00 C ATOM 138 C GLY A 8 6.348 -2.326 6.353 1.00 0.00 C ATOM 139 O GLY A 8 6.343 -3.528 6.211 1.00 0.00 O ATOM 0 H GLY A 8 8.224 0.284 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.176 -2.373 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.078 -1.088 7.966 1.00 0.00 H new ATOM 143 N ILE A 9 5.383 -1.582 5.876 1.00 0.00 N ATOM 144 CA ILE A 9 4.253 -2.196 5.142 1.00 0.00 C ATOM 145 C ILE A 9 4.782 -3.274 4.205 1.00 0.00 C ATOM 146 O ILE A 9 4.538 -4.438 4.395 1.00 0.00 O ATOM 147 CB ILE A 9 3.490 -1.103 4.360 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.892 -1.646 3.057 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.412 0.070 4.021 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.323 -3.038 3.280 1.00 0.00 C ATOM 0 H ILE A 9 5.336 -0.567 5.968 1.00 0.00 H new ATOM 0 HA ILE A 9 3.561 -2.661 5.844 1.00 0.00 H new ATOM 0 HB ILE A 9 2.681 -0.765 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.108 -0.977 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.658 -1.678 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.852 0.826 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.801 0.505 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.241 -0.284 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.901 -3.412 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.117 -3.706 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.542 -2.995 4.039 1.00 0.00 H new ATOM 162 N PHE A 10 5.472 -2.899 3.186 1.00 0.00 N ATOM 163 CA PHE A 10 5.979 -3.917 2.241 1.00 0.00 C ATOM 164 C PHE A 10 6.431 -5.211 2.933 1.00 0.00 C ATOM 165 O PHE A 10 5.676 -6.155 3.050 1.00 0.00 O ATOM 166 CB PHE A 10 7.118 -3.328 1.414 1.00 0.00 C ATOM 167 CG PHE A 10 6.704 -3.234 -0.021 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.390 -2.926 -0.388 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.652 -3.538 -0.995 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.034 -2.930 -1.744 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.303 -3.530 -2.336 1.00 0.00 C ATOM 172 CZ PHE A 10 6.001 -3.233 -2.715 1.00 0.00 C ATOM 0 H PHE A 10 5.710 -1.933 2.961 1.00 0.00 H new ATOM 0 HA PHE A 10 5.149 -4.192 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.381 -2.340 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.007 -3.952 1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.656 -2.687 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.663 -3.781 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.021 -2.701 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.045 -3.755 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.731 -3.235 -3.761 1.00 0.00 H new ATOM 182 N GLU A 11 7.636 -5.282 3.385 1.00 0.00 N ATOM 183 CA GLU A 11 8.111 -6.540 4.046 1.00 0.00 C ATOM 184 C GLU A 11 7.041 -7.058 5.014 1.00 0.00 C ATOM 185 O GLU A 11 7.009 -8.220 5.368 1.00 0.00 O ATOM 186 CB GLU A 11 9.401 -6.251 4.818 1.00 0.00 C ATOM 187 CG GLU A 11 10.531 -5.952 3.831 1.00 0.00 C ATOM 188 CD GLU A 11 11.813 -6.645 4.295 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.728 -7.791 4.703 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.858 -6.018 4.234 1.00 0.00 O ATOM 0 H GLU A 11 8.324 -4.531 3.332 1.00 0.00 H new ATOM 0 HA GLU A 11 8.300 -7.297 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.255 -5.403 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.664 -7.106 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.258 -6.299 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.692 -4.876 3.761 1.00 0.00 H new ATOM 197 N LYS A 12 6.177 -6.190 5.439 1.00 0.00 N ATOM 198 CA LYS A 12 5.091 -6.577 6.393 1.00 0.00 C ATOM 199 C LYS A 12 3.886 -7.154 5.636 1.00 0.00 C ATOM 200 O LYS A 12 3.748 -8.353 5.493 1.00 0.00 O ATOM 201 CB LYS A 12 4.668 -5.348 7.202 1.00 0.00 C ATOM 202 CG LYS A 12 3.628 -5.760 8.242 1.00 0.00 C ATOM 203 CD LYS A 12 3.756 -4.869 9.481 1.00 0.00 C ATOM 204 CE LYS A 12 3.653 -3.400 9.068 1.00 0.00 C ATOM 205 NZ LYS A 12 3.841 -2.535 10.267 1.00 0.00 N ATOM 0 H LYS A 12 6.171 -5.208 5.165 1.00 0.00 H new ATOM 0 HA LYS A 12 5.467 -7.346 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.535 -4.906 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.255 -4.587 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.626 -5.674 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.769 -6.805 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.972 -5.112 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.709 -5.052 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.408 -3.168 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.681 -3.206 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.771 -1.535 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.105 -2.751 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.778 -2.714 10.681 1.00 0.00 H new ATOM 219 N TYR A 13 3.001 -6.309 5.160 1.00 0.00 N ATOM 220 CA TYR A 13 1.804 -6.806 4.429 1.00 0.00 C ATOM 221 C TYR A 13 2.221 -7.255 3.030 1.00 0.00 C ATOM 222 O TYR A 13 1.685 -8.210 2.504 1.00 0.00 O ATOM 223 CB TYR A 13 0.762 -5.684 4.314 1.00 0.00 C ATOM 224 CG TYR A 13 0.626 -4.983 5.642 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.539 -5.730 6.818 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.617 -3.585 5.703 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.440 -5.081 8.052 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.528 -2.937 6.935 1.00 0.00 C ATOM 229 CZ TYR A 13 0.436 -3.684 8.112 1.00 0.00 C ATOM 230 OH TYR A 13 0.359 -3.044 9.333 1.00 0.00 O ATOM 0 H TYR A 13 3.062 -5.295 5.250 1.00 0.00 H new ATOM 0 HA TYR A 13 1.370 -7.645 4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.062 -4.973 3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.200 -6.097 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.548 -6.809 6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.679 -3.006 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.366 -5.660 8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.530 -1.858 6.979 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.534 -3.174 9.715 1.00 0.00 H new ATOM 240 N ALA A 14 3.192 -6.618 2.423 1.00 0.00 N ATOM 241 CA ALA A 14 3.611 -7.102 1.078 1.00 0.00 C ATOM 242 C ALA A 14 4.172 -8.511 1.264 1.00 0.00 C ATOM 243 O ALA A 14 4.311 -9.265 0.325 1.00 0.00 O ATOM 244 CB ALA A 14 4.699 -6.192 0.462 1.00 0.00 C ATOM 0 H ALA A 14 3.697 -5.810 2.788 1.00 0.00 H new ATOM 0 HA ALA A 14 2.757 -7.093 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.981 -6.575 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.310 -5.179 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.574 -6.180 1.112 1.00 0.00 H new ATOM 250 N ASP A 15 4.505 -8.865 2.488 1.00 0.00 N ATOM 251 CA ASP A 15 5.079 -10.213 2.750 1.00 0.00 C ATOM 252 C ASP A 15 3.963 -11.171 3.167 1.00 0.00 C ATOM 253 O ASP A 15 4.107 -12.376 3.113 1.00 0.00 O ATOM 254 CB ASP A 15 6.103 -10.132 3.892 1.00 0.00 C ATOM 255 CG ASP A 15 6.732 -11.510 4.103 1.00 0.00 C ATOM 256 OD1 ASP A 15 7.452 -11.953 3.223 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.481 -12.100 5.141 1.00 0.00 O ATOM 0 H ASP A 15 4.401 -8.272 3.312 1.00 0.00 H new ATOM 0 HA ASP A 15 5.564 -10.571 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.874 -9.400 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.618 -9.797 4.808 1.00 0.00 H new ATOM 262 N LYS A 16 2.857 -10.638 3.606 1.00 0.00 N ATOM 263 CA LYS A 16 1.733 -11.495 4.056 1.00 0.00 C ATOM 264 C LYS A 16 1.205 -12.323 2.888 1.00 0.00 C ATOM 265 O LYS A 16 0.737 -13.432 3.054 1.00 0.00 O ATOM 266 CB LYS A 16 0.635 -10.590 4.609 1.00 0.00 C ATOM 267 CG LYS A 16 -0.277 -10.088 3.485 1.00 0.00 C ATOM 268 CD LYS A 16 -1.063 -8.871 3.980 1.00 0.00 C ATOM 269 CE LYS A 16 -2.517 -9.274 4.233 1.00 0.00 C ATOM 270 NZ LYS A 16 -2.602 -10.066 5.493 1.00 0.00 N ATOM 0 H LYS A 16 2.685 -9.635 3.672 1.00 0.00 H new ATOM 0 HA LYS A 16 2.070 -12.184 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.045 -11.136 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.083 -9.741 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.317 -9.821 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.962 -10.878 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.617 -8.484 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.019 -8.071 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.144 -8.386 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.894 -9.862 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.600 -10.239 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.114 -10.976 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.151 -9.537 6.267 1.00 0.00 H new ATOM 284 N GLU A 17 1.268 -11.784 1.711 1.00 0.00 N ATOM 285 CA GLU A 17 0.765 -12.527 0.523 1.00 0.00 C ATOM 286 C GLU A 17 1.793 -13.575 0.098 1.00 0.00 C ATOM 287 O GLU A 17 1.468 -14.547 -0.554 1.00 0.00 O ATOM 288 CB GLU A 17 0.521 -11.548 -0.616 1.00 0.00 C ATOM 289 CG GLU A 17 -0.914 -11.022 -0.531 1.00 0.00 C ATOM 290 CD GLU A 17 -1.777 -11.706 -1.590 1.00 0.00 C ATOM 291 OE1 GLU A 17 -1.782 -11.235 -2.715 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.422 -12.687 -1.258 1.00 0.00 O ATOM 0 H GLU A 17 1.647 -10.857 1.515 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.169 -13.029 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.228 -10.721 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.684 -12.040 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.322 -11.210 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.925 -9.942 -0.681 1.00 0.00 H new ATOM 299 N GLY A 18 3.031 -13.396 0.474 1.00 0.00 N ATOM 300 CA GLY A 18 4.070 -14.398 0.101 1.00 0.00 C ATOM 301 C GLY A 18 5.286 -13.697 -0.507 1.00 0.00 C ATOM 302 O GLY A 18 5.758 -14.069 -1.563 1.00 0.00 O ATOM 0 H GLY A 18 3.366 -12.603 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.371 -14.966 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.658 -15.111 -0.613 1.00 0.00 H new ATOM 306 N ASP A 19 5.813 -12.698 0.148 1.00 0.00 N ATOM 307 CA ASP A 19 7.006 -12.006 -0.411 1.00 0.00 C ATOM 308 C ASP A 19 7.393 -10.805 0.455 1.00 0.00 C ATOM 309 O ASP A 19 8.250 -10.897 1.310 1.00 0.00 O ATOM 310 CB ASP A 19 6.711 -11.548 -1.842 1.00 0.00 C ATOM 311 CG ASP A 19 7.940 -11.808 -2.716 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.779 -10.927 -2.800 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.020 -12.882 -3.288 1.00 0.00 O ATOM 0 H ASP A 19 5.472 -12.335 1.038 1.00 0.00 H new ATOM 0 HA ASP A 19 7.843 -12.704 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.848 -12.084 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.460 -10.487 -1.853 1.00 0.00 H new ATOM 318 N GLY A 20 6.793 -9.676 0.221 1.00 0.00 N ATOM 319 CA GLY A 20 7.152 -8.460 1.006 1.00 0.00 C ATOM 320 C GLY A 20 7.625 -7.396 0.028 1.00 0.00 C ATOM 321 O GLY A 20 7.777 -6.241 0.374 1.00 0.00 O ATOM 0 H GLY A 20 6.067 -9.539 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.291 -8.103 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.935 -8.690 1.728 1.00 0.00 H new ATOM 325 N ASN A 21 7.874 -7.780 -1.198 1.00 0.00 N ATOM 326 CA ASN A 21 8.348 -6.801 -2.187 1.00 0.00 C ATOM 327 C ASN A 21 7.198 -6.316 -3.100 1.00 0.00 C ATOM 328 O ASN A 21 7.403 -5.494 -3.969 1.00 0.00 O ATOM 329 CB ASN A 21 9.449 -7.456 -3.023 1.00 0.00 C ATOM 330 CG ASN A 21 10.800 -7.237 -2.347 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.810 -7.098 -3.009 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.863 -7.205 -1.045 1.00 0.00 N ATOM 0 H ASN A 21 7.766 -8.733 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 21 8.736 -5.926 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.253 -8.523 -3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.460 -7.031 -4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.760 -7.063 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.015 -7.322 -0.490 1.00 0.00 H new ATOM 339 N GLN A 22 5.990 -6.798 -2.913 1.00 0.00 N ATOM 340 CA GLN A 22 4.845 -6.323 -3.768 1.00 0.00 C ATOM 341 C GLN A 22 3.569 -6.297 -2.923 1.00 0.00 C ATOM 342 O GLN A 22 3.475 -6.942 -1.899 1.00 0.00 O ATOM 343 CB GLN A 22 4.630 -7.224 -4.989 1.00 0.00 C ATOM 344 CG GLN A 22 5.967 -7.682 -5.568 1.00 0.00 C ATOM 345 CD GLN A 22 6.229 -9.128 -5.153 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.326 -9.941 -5.141 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.431 -9.487 -4.806 1.00 0.00 N ATOM 0 H GLN A 22 5.745 -7.496 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 22 5.086 -5.324 -4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.035 -8.092 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.065 -6.685 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.952 -7.601 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.771 -7.038 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.190 -8.805 -4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.614 -10.450 -4.524 1.00 0.00 H new ATOM 356 N LEU A 23 2.605 -5.516 -3.324 1.00 0.00 N ATOM 357 CA LEU A 23 1.357 -5.389 -2.522 1.00 0.00 C ATOM 358 C LEU A 23 0.104 -5.764 -3.324 1.00 0.00 C ATOM 359 O LEU A 23 0.168 -6.227 -4.432 1.00 0.00 O ATOM 360 CB LEU A 23 1.245 -3.925 -2.120 1.00 0.00 C ATOM 361 CG LEU A 23 1.789 -3.748 -0.710 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.837 -2.261 -0.364 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.896 -4.473 0.294 1.00 0.00 C ATOM 0 H LEU A 23 2.628 -4.958 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 23 1.413 -6.065 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.802 -3.301 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.205 -3.602 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 23 2.793 -4.169 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.227 -2.135 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.486 -1.744 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.832 -1.842 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.295 -4.339 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.113 -4.062 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.867 -5.536 0.054 1.00 0.00 H new ATOM 375 N SER A 24 -1.047 -5.542 -2.745 1.00 0.00 N ATOM 376 CA SER A 24 -2.317 -5.827 -3.405 1.00 0.00 C ATOM 377 C SER A 24 -3.326 -4.830 -2.823 1.00 0.00 C ATOM 378 O SER A 24 -2.973 -3.987 -2.023 1.00 0.00 O ATOM 379 CB SER A 24 -2.734 -7.259 -3.091 1.00 0.00 C ATOM 380 OG SER A 24 -1.595 -7.992 -2.657 1.00 0.00 O ATOM 0 H SER A 24 -1.142 -5.159 -1.804 1.00 0.00 H new ATOM 0 HA SER A 24 -2.253 -5.729 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.502 -7.266 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.167 -7.727 -3.975 1.00 0.00 H new ATOM 0 HG SER A 24 -1.774 -8.952 -2.737 1.00 0.00 H new ATOM 386 N LYS A 25 -4.558 -4.905 -3.203 1.00 0.00 N ATOM 387 CA LYS A 25 -5.560 -3.945 -2.657 1.00 0.00 C ATOM 388 C LYS A 25 -5.965 -4.360 -1.240 1.00 0.00 C ATOM 389 O LYS A 25 -6.327 -3.537 -0.424 1.00 0.00 O ATOM 390 CB LYS A 25 -6.798 -3.934 -3.553 1.00 0.00 C ATOM 391 CG LYS A 25 -7.432 -2.542 -3.537 1.00 0.00 C ATOM 392 CD LYS A 25 -8.194 -2.311 -4.844 1.00 0.00 C ATOM 393 CE LYS A 25 -9.453 -3.181 -4.865 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.586 -2.426 -4.263 1.00 0.00 N ATOM 0 H LYS A 25 -4.924 -5.586 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.118 -2.949 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.524 -4.208 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.517 -4.676 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.109 -2.449 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.661 -1.781 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.465 -1.259 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.558 -2.553 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.695 -3.466 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.280 -4.103 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.442 -3.016 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.353 -2.176 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.755 -1.558 -4.811 1.00 0.00 H new ATOM 408 N GLU A 26 -5.907 -5.628 -0.940 1.00 0.00 N ATOM 409 CA GLU A 26 -6.289 -6.087 0.425 1.00 0.00 C ATOM 410 C GLU A 26 -5.109 -5.898 1.378 1.00 0.00 C ATOM 411 O GLU A 26 -5.168 -6.264 2.535 1.00 0.00 O ATOM 412 CB GLU A 26 -6.679 -7.566 0.372 1.00 0.00 C ATOM 413 CG GLU A 26 -5.425 -8.421 0.185 1.00 0.00 C ATOM 414 CD GLU A 26 -5.832 -9.876 -0.049 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.019 -10.154 0.006 1.00 0.00 O ATOM 416 OE2 GLU A 26 -4.951 -10.687 -0.283 1.00 0.00 O ATOM 0 H GLU A 26 -5.612 -6.365 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.136 -5.502 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.192 -7.850 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.375 -7.740 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.844 -8.054 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.787 -8.348 1.066 1.00 0.00 H new ATOM 423 N GLU A 27 -4.031 -5.341 0.898 1.00 0.00 N ATOM 424 CA GLU A 27 -2.845 -5.148 1.776 1.00 0.00 C ATOM 425 C GLU A 27 -2.547 -3.656 1.941 1.00 0.00 C ATOM 426 O GLU A 27 -1.716 -3.268 2.739 1.00 0.00 O ATOM 427 CB GLU A 27 -1.648 -5.849 1.143 1.00 0.00 C ATOM 428 CG GLU A 27 -2.092 -7.199 0.575 1.00 0.00 C ATOM 429 CD GLU A 27 -1.053 -8.265 0.918 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.127 -7.988 0.769 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.454 -9.341 1.328 1.00 0.00 O ATOM 0 H GLU A 27 -3.921 -5.012 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.046 -5.571 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.227 -5.230 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.863 -5.995 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.062 -7.477 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.212 -7.128 -0.506 1.00 0.00 H new ATOM 438 N LEU A 28 -3.236 -2.815 1.223 1.00 0.00 N ATOM 439 CA LEU A 28 -3.016 -1.363 1.371 1.00 0.00 C ATOM 440 C LEU A 28 -3.975 -0.921 2.476 1.00 0.00 C ATOM 441 O LEU A 28 -3.641 -0.163 3.364 1.00 0.00 O ATOM 442 CB LEU A 28 -3.322 -0.704 0.021 1.00 0.00 C ATOM 443 CG LEU A 28 -4.061 0.609 0.215 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.208 1.562 1.058 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.337 1.243 -1.150 1.00 0.00 C ATOM 0 H LEU A 28 -3.944 -3.079 0.538 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.997 -1.087 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.393 -0.527 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.923 -1.378 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.004 0.421 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.741 2.503 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.012 1.111 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.263 1.751 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.867 2.185 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.393 1.429 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.948 0.567 -1.748 1.00 0.00 H new ATOM 457 N LYS A 29 -5.152 -1.468 2.431 1.00 0.00 N ATOM 458 CA LYS A 29 -6.175 -1.230 3.434 1.00 0.00 C ATOM 459 C LYS A 29 -5.617 -1.559 4.823 1.00 0.00 C ATOM 460 O LYS A 29 -5.787 -0.820 5.769 1.00 0.00 O ATOM 461 CB LYS A 29 -7.270 -2.196 3.096 1.00 0.00 C ATOM 462 CG LYS A 29 -8.351 -2.019 4.110 1.00 0.00 C ATOM 463 CD LYS A 29 -9.633 -2.620 3.569 1.00 0.00 C ATOM 464 CE LYS A 29 -10.365 -3.385 4.694 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.287 -4.387 4.088 1.00 0.00 N ATOM 0 H LYS A 29 -5.444 -2.104 1.689 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.517 -0.195 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.651 -2.008 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.896 -3.220 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.073 -2.503 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.493 -0.961 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.276 -1.834 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.409 -3.295 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.643 -3.883 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.925 -2.689 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.782 -4.904 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.983 -3.900 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.740 -5.057 3.510 1.00 0.00 H new ATOM 479 N LEU A 30 -4.955 -2.680 4.950 1.00 0.00 N ATOM 480 CA LEU A 30 -4.381 -3.062 6.271 1.00 0.00 C ATOM 481 C LEU A 30 -3.287 -2.061 6.638 1.00 0.00 C ATOM 482 O LEU A 30 -2.955 -1.873 7.790 1.00 0.00 O ATOM 483 CB LEU A 30 -3.778 -4.466 6.179 1.00 0.00 C ATOM 484 CG LEU A 30 -4.893 -5.507 6.277 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.430 -5.547 7.709 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.025 -5.130 5.318 1.00 0.00 C ATOM 0 H LEU A 30 -4.788 -3.346 4.196 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.162 -3.056 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.240 -4.581 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.055 -4.616 6.980 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.500 -6.488 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.225 -6.289 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.624 -5.813 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.824 -4.567 7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.821 -5.871 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.418 -4.149 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.643 -5.101 4.298 1.00 0.00 H new ATOM 498 N LEU A 31 -2.733 -1.416 5.653 1.00 0.00 N ATOM 499 CA LEU A 31 -1.662 -0.415 5.907 1.00 0.00 C ATOM 500 C LEU A 31 -2.221 0.697 6.783 1.00 0.00 C ATOM 501 O LEU A 31 -1.841 0.857 7.926 1.00 0.00 O ATOM 502 CB LEU A 31 -1.200 0.174 4.575 1.00 0.00 C ATOM 503 CG LEU A 31 0.303 0.446 4.629 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.753 1.099 3.321 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.608 1.386 5.797 1.00 0.00 C ATOM 0 H LEU A 31 -2.979 -1.541 4.671 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.819 -0.891 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.426 -0.517 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.740 1.098 4.367 1.00 0.00 H new ATOM 0 HG LEU A 31 0.837 -0.494 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.825 1.292 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.536 0.431 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.220 2.039 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.680 1.581 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.073 2.325 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.289 0.922 6.730 1.00 0.00 H new ATOM 517 N LEU A 32 -3.132 1.461 6.258 1.00 0.00 N ATOM 518 CA LEU A 32 -3.727 2.559 7.072 1.00 0.00 C ATOM 519 C LEU A 32 -4.313 1.954 8.333 1.00 0.00 C ATOM 520 O LEU A 32 -4.013 2.332 9.438 1.00 0.00 O ATOM 521 CB LEU A 32 -4.855 3.267 6.356 1.00 0.00 C ATOM 522 CG LEU A 32 -4.749 3.071 4.869 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.453 1.780 4.502 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.433 4.237 4.211 1.00 0.00 C ATOM 0 H LEU A 32 -3.491 1.377 5.307 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.935 3.280 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.813 2.886 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.829 4.331 6.590 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.710 3.014 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.386 1.622 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.979 0.947 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.501 1.841 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.376 4.129 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.478 4.266 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.941 5.163 4.509 1.00 0.00 H new ATOM 536 N GLN A 33 -5.181 1.021 8.166 1.00 0.00 N ATOM 537 CA GLN A 33 -5.820 0.401 9.361 1.00 0.00 C ATOM 538 C GLN A 33 -4.763 0.039 10.403 1.00 0.00 C ATOM 539 O GLN A 33 -5.049 -0.036 11.582 1.00 0.00 O ATOM 540 CB GLN A 33 -6.602 -0.848 8.948 1.00 0.00 C ATOM 541 CG GLN A 33 -7.801 -0.435 8.092 1.00 0.00 C ATOM 542 CD GLN A 33 -8.999 -1.324 8.430 1.00 0.00 C ATOM 543 OE1 GLN A 33 -10.112 -0.848 8.536 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.817 -2.604 8.604 1.00 0.00 N ATOM 0 H GLN A 33 -5.483 0.653 7.264 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.509 1.121 9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.957 -1.526 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.941 -1.388 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.048 0.611 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.555 -0.525 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.883 -3.003 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.609 -3.206 8.829 1.00 0.00 H new ATOM 553 N THR A 34 -3.546 -0.171 9.999 1.00 0.00 N ATOM 554 CA THR A 34 -2.497 -0.505 10.996 1.00 0.00 C ATOM 555 C THR A 34 -2.008 0.788 11.651 1.00 0.00 C ATOM 556 O THR A 34 -1.753 0.836 12.838 1.00 0.00 O ATOM 557 CB THR A 34 -1.338 -1.217 10.303 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.814 -2.428 9.734 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.240 -1.525 11.321 1.00 0.00 C ATOM 0 H THR A 34 -3.233 -0.127 9.029 1.00 0.00 H new ATOM 0 HA THR A 34 -2.905 -1.167 11.760 1.00 0.00 H new ATOM 0 HB THR A 34 -0.929 -0.578 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.459 -2.225 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.586 -2.033 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.119 -0.595 11.761 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.641 -2.167 12.105 1.00 0.00 H new ATOM 567 N GLU A 35 -1.884 1.840 10.886 1.00 0.00 N ATOM 568 CA GLU A 35 -1.422 3.131 11.466 1.00 0.00 C ATOM 569 C GLU A 35 -2.533 4.186 11.348 1.00 0.00 C ATOM 570 O GLU A 35 -2.881 4.833 12.317 1.00 0.00 O ATOM 571 CB GLU A 35 -0.168 3.605 10.726 1.00 0.00 C ATOM 572 CG GLU A 35 0.789 2.426 10.542 1.00 0.00 C ATOM 573 CD GLU A 35 1.297 1.960 11.908 1.00 0.00 C ATOM 574 OE1 GLU A 35 0.473 1.738 12.781 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.500 1.832 12.059 1.00 0.00 O ATOM 0 H GLU A 35 -2.083 1.859 9.886 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.184 2.988 12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.440 4.022 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.321 4.400 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.280 1.607 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.628 2.720 9.912 1.00 0.00 H new ATOM 582 N PHE A 36 -3.090 4.382 10.176 1.00 0.00 N ATOM 583 CA PHE A 36 -4.165 5.412 10.035 1.00 0.00 C ATOM 584 C PHE A 36 -5.397 4.822 9.318 1.00 0.00 C ATOM 585 O PHE A 36 -5.696 5.213 8.210 1.00 0.00 O ATOM 586 CB PHE A 36 -3.641 6.587 9.194 1.00 0.00 C ATOM 587 CG PHE A 36 -2.130 6.574 9.139 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.375 6.817 10.292 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.486 6.319 7.922 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.025 6.805 10.227 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.089 6.306 7.857 1.00 0.00 C ATOM 592 CZ PHE A 36 0.668 6.549 9.008 1.00 0.00 C ATOM 0 H PHE A 36 -2.850 3.880 9.322 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.449 5.746 11.033 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.047 6.527 8.184 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.986 7.529 9.621 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.871 7.014 11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.069 6.132 7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.608 6.993 11.116 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.406 6.108 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.747 6.539 8.957 1.00 0.00 H new ATOM 602 N PRO A 37 -6.083 3.914 9.973 1.00 0.00 N ATOM 603 CA PRO A 37 -7.297 3.278 9.416 1.00 0.00 C ATOM 604 C PRO A 37 -8.272 4.301 8.832 1.00 0.00 C ATOM 605 O PRO A 37 -8.941 4.038 7.853 1.00 0.00 O ATOM 606 CB PRO A 37 -7.944 2.571 10.617 1.00 0.00 C ATOM 607 CG PRO A 37 -6.903 2.570 11.764 1.00 0.00 C ATOM 608 CD PRO A 37 -5.722 3.446 11.318 1.00 0.00 C ATOM 0 HA PRO A 37 -7.046 2.604 8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.853 3.088 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.229 1.552 10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.344 2.959 12.682 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.568 1.555 11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.572 4.283 12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.792 2.877 11.302 1.00 0.00 H new ATOM 616 N SER A 38 -8.397 5.446 9.437 1.00 0.00 N ATOM 617 CA SER A 38 -9.378 6.441 8.918 1.00 0.00 C ATOM 618 C SER A 38 -8.825 7.223 7.725 1.00 0.00 C ATOM 619 O SER A 38 -9.323 8.279 7.393 1.00 0.00 O ATOM 620 CB SER A 38 -9.765 7.411 10.033 1.00 0.00 C ATOM 621 OG SER A 38 -8.593 7.830 10.720 1.00 0.00 O ATOM 0 H SER A 38 -7.869 5.736 10.260 1.00 0.00 H new ATOM 0 HA SER A 38 -10.256 5.893 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.284 8.274 9.616 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.454 6.929 10.727 1.00 0.00 H new ATOM 0 HG SER A 38 -8.838 8.454 11.435 1.00 0.00 H new ATOM 627 N LEU A 39 -7.836 6.715 7.052 1.00 0.00 N ATOM 628 CA LEU A 39 -7.321 7.449 5.867 1.00 0.00 C ATOM 629 C LEU A 39 -8.243 7.153 4.679 1.00 0.00 C ATOM 630 O LEU A 39 -8.089 7.699 3.604 1.00 0.00 O ATOM 631 CB LEU A 39 -5.896 7.000 5.547 1.00 0.00 C ATOM 632 CG LEU A 39 -4.986 8.226 5.446 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.384 8.535 6.817 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.861 7.939 4.449 1.00 0.00 C ATOM 0 H LEU A 39 -7.366 5.835 7.266 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.304 8.520 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.532 6.327 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.880 6.444 4.610 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.568 9.083 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.736 9.409 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.184 8.737 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.801 7.680 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.210 8.810 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.282 7.082 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.289 7.721 3.471 1.00 0.00 H new ATOM 646 N LEU A 40 -9.205 6.289 4.878 1.00 0.00 N ATOM 647 CA LEU A 40 -10.157 5.943 3.783 1.00 0.00 C ATOM 648 C LEU A 40 -11.589 6.188 4.274 1.00 0.00 C ATOM 649 O LEU A 40 -11.805 6.637 5.382 1.00 0.00 O ATOM 650 CB LEU A 40 -10.003 4.460 3.414 1.00 0.00 C ATOM 651 CG LEU A 40 -8.522 4.056 3.441 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.353 2.675 2.797 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.703 5.086 2.658 1.00 0.00 C ATOM 0 H LEU A 40 -9.372 5.805 5.760 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.947 6.559 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.568 3.844 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.418 4.280 2.422 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.174 4.018 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.301 2.390 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.938 1.941 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.699 2.710 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.651 4.803 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.053 5.121 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.822 6.069 3.115 1.00 0.00 H new ATOM 665 N LYS A 41 -12.569 5.886 3.467 1.00 0.00 N ATOM 666 CA LYS A 41 -13.983 6.089 3.902 1.00 0.00 C ATOM 667 C LYS A 41 -14.212 7.557 4.282 1.00 0.00 C ATOM 668 O LYS A 41 -14.064 7.936 5.427 1.00 0.00 O ATOM 669 CB LYS A 41 -14.266 5.204 5.118 1.00 0.00 C ATOM 670 CG LYS A 41 -13.744 3.790 4.854 1.00 0.00 C ATOM 671 CD LYS A 41 -14.830 2.965 4.160 1.00 0.00 C ATOM 672 CE LYS A 41 -14.863 1.557 4.758 1.00 0.00 C ATOM 673 NZ LYS A 41 -16.245 1.245 5.219 1.00 0.00 N ATOM 0 H LYS A 41 -12.454 5.508 2.527 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.651 5.824 3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.786 5.621 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.337 5.176 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.850 3.831 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.457 3.316 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.800 3.446 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.633 2.912 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.543 0.827 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.166 1.489 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.268 0.288 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.534 1.935 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.899 1.294 4.412 1.00 0.00 H new ATOM 687 N GLY A 42 -14.580 8.388 3.340 1.00 0.00 N ATOM 688 CA GLY A 42 -14.825 9.823 3.667 1.00 0.00 C ATOM 689 C GLY A 42 -13.515 10.607 3.598 1.00 0.00 C ATOM 690 O GLY A 42 -13.487 11.804 3.807 1.00 0.00 O ATOM 0 H GLY A 42 -14.721 8.135 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.548 10.245 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.257 9.908 4.664 1.00 0.00 H new ATOM 694 N MET A 43 -12.427 9.949 3.306 1.00 0.00 N ATOM 695 CA MET A 43 -11.127 10.671 3.224 1.00 0.00 C ATOM 696 C MET A 43 -10.206 10.025 2.181 1.00 0.00 C ATOM 697 O MET A 43 -10.443 8.918 1.739 1.00 0.00 O ATOM 698 CB MET A 43 -10.446 10.659 4.592 1.00 0.00 C ATOM 699 CG MET A 43 -10.559 12.046 5.206 1.00 0.00 C ATOM 700 SD MET A 43 -11.772 12.021 6.549 1.00 0.00 S ATOM 701 CE MET A 43 -10.763 12.876 7.783 1.00 0.00 C ATOM 0 H MET A 43 -12.382 8.947 3.121 1.00 0.00 H new ATOM 0 HA MET A 43 -11.322 11.699 2.920 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.915 9.919 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.399 10.375 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.589 12.367 5.585 1.00 0.00 H new ATOM 0 HG3 MET A 43 -10.858 12.768 4.446 1.00 0.00 H new ATOM 0 HE1 MET A 43 -11.327 12.972 8.711 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.854 12.305 7.969 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.500 13.867 7.414 1.00 0.00 H new ATOM 711 N SER A 44 -9.152 10.705 1.781 1.00 0.00 N ATOM 712 CA SER A 44 -8.233 10.128 0.778 1.00 0.00 C ATOM 713 C SER A 44 -9.043 9.463 -0.338 1.00 0.00 C ATOM 714 O SER A 44 -10.175 9.823 -0.594 1.00 0.00 O ATOM 715 CB SER A 44 -7.331 9.089 1.444 1.00 0.00 C ATOM 716 OG SER A 44 -7.894 7.797 1.262 1.00 0.00 O ATOM 0 H SER A 44 -8.900 11.635 2.115 1.00 0.00 H new ATOM 0 HA SER A 44 -7.618 10.922 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.331 9.127 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.227 9.307 2.507 1.00 0.00 H new ATOM 0 HG SER A 44 -8.517 7.606 1.994 1.00 0.00 H new ATOM 722 N THR A 45 -8.477 8.491 -0.998 1.00 0.00 N ATOM 723 CA THR A 45 -9.220 7.801 -2.090 1.00 0.00 C ATOM 724 C THR A 45 -9.442 6.346 -1.706 1.00 0.00 C ATOM 725 O THR A 45 -10.558 5.882 -1.580 1.00 0.00 O ATOM 726 CB THR A 45 -8.408 7.871 -3.384 1.00 0.00 C ATOM 727 OG1 THR A 45 -7.027 7.988 -3.069 1.00 0.00 O ATOM 728 CG2 THR A 45 -8.851 9.085 -4.200 1.00 0.00 C ATOM 0 H THR A 45 -7.533 8.145 -0.829 1.00 0.00 H new ATOM 0 HA THR A 45 -10.183 8.289 -2.242 1.00 0.00 H new ATOM 0 HB THR A 45 -8.573 6.965 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.505 8.031 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 45 -8.272 9.135 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.910 8.995 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.687 9.993 -3.620 1.00 0.00 H new ATOM 736 N LEU A 46 -8.375 5.639 -1.529 1.00 0.00 N ATOM 737 CA LEU A 46 -8.451 4.196 -1.150 1.00 0.00 C ATOM 738 C LEU A 46 -8.590 3.342 -2.415 1.00 0.00 C ATOM 739 O LEU A 46 -8.011 2.280 -2.530 1.00 0.00 O ATOM 740 CB LEU A 46 -9.637 3.978 -0.184 1.00 0.00 C ATOM 741 CG LEU A 46 -10.839 3.331 -0.888 1.00 0.00 C ATOM 742 CD1 LEU A 46 -10.648 1.813 -0.941 1.00 0.00 C ATOM 743 CD2 LEU A 46 -12.114 3.647 -0.103 1.00 0.00 C ATOM 0 H LEU A 46 -7.427 6.000 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.538 3.893 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.318 3.346 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.938 4.935 0.243 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.919 3.725 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.502 1.356 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.737 1.580 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.568 1.421 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.970 3.190 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.026 3.250 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.255 4.727 -0.058 1.00 0.00 H new ATOM 755 N ASP A 47 -9.353 3.802 -3.361 1.00 0.00 N ATOM 756 CA ASP A 47 -9.540 3.036 -4.618 1.00 0.00 C ATOM 757 C ASP A 47 -8.659 3.622 -5.713 1.00 0.00 C ATOM 758 O ASP A 47 -7.888 2.930 -6.349 1.00 0.00 O ATOM 759 CB ASP A 47 -10.983 3.150 -5.050 1.00 0.00 C ATOM 760 CG ASP A 47 -11.740 1.872 -4.690 1.00 0.00 C ATOM 761 OD1 ASP A 47 -11.378 0.827 -5.204 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.671 1.962 -3.906 1.00 0.00 O ATOM 0 H ASP A 47 -9.860 4.686 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.272 1.993 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.450 4.007 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.037 3.324 -6.125 1.00 0.00 H new ATOM 767 N GLU A 48 -8.764 4.903 -5.930 1.00 0.00 N ATOM 768 CA GLU A 48 -7.930 5.552 -6.974 1.00 0.00 C ATOM 769 C GLU A 48 -6.519 5.720 -6.435 1.00 0.00 C ATOM 770 O GLU A 48 -5.624 6.175 -7.118 1.00 0.00 O ATOM 771 CB GLU A 48 -8.501 6.921 -7.321 1.00 0.00 C ATOM 772 CG GLU A 48 -8.787 6.974 -8.819 1.00 0.00 C ATOM 773 CD GLU A 48 -9.679 8.178 -9.130 1.00 0.00 C ATOM 774 OE1 GLU A 48 -9.198 9.293 -9.009 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.827 7.964 -9.482 1.00 0.00 O ATOM 0 H GLU A 48 -9.394 5.528 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.922 4.933 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.416 7.102 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.796 7.704 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.853 7.048 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.276 6.054 -9.139 1.00 0.00 H new ATOM 782 N LEU A 49 -6.312 5.323 -5.217 1.00 0.00 N ATOM 783 CA LEU A 49 -4.959 5.418 -4.627 1.00 0.00 C ATOM 784 C LEU A 49 -4.146 4.285 -5.225 1.00 0.00 C ATOM 785 O LEU A 49 -2.938 4.341 -5.347 1.00 0.00 O ATOM 786 CB LEU A 49 -5.074 5.238 -3.117 1.00 0.00 C ATOM 787 CG LEU A 49 -3.813 5.759 -2.418 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.657 4.788 -2.664 1.00 0.00 C ATOM 789 CD2 LEU A 49 -3.446 7.139 -2.968 1.00 0.00 C ATOM 0 H LEU A 49 -7.027 4.935 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.489 6.380 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.949 5.772 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.219 4.184 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.003 5.839 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.760 5.157 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.915 3.807 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.472 4.707 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.549 7.504 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.259 7.066 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.268 7.832 -2.790 1.00 0.00 H new ATOM 801 N PHE A 50 -4.838 3.260 -5.616 1.00 0.00 N ATOM 802 CA PHE A 50 -4.185 2.084 -6.239 1.00 0.00 C ATOM 803 C PHE A 50 -3.950 2.386 -7.722 1.00 0.00 C ATOM 804 O PHE A 50 -2.887 2.148 -8.260 1.00 0.00 O ATOM 805 CB PHE A 50 -5.120 0.884 -6.089 1.00 0.00 C ATOM 806 CG PHE A 50 -4.358 -0.412 -6.267 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.051 -0.408 -6.775 1.00 0.00 C ATOM 808 CD2 PHE A 50 -4.964 -1.623 -5.919 1.00 0.00 C ATOM 809 CE1 PHE A 50 -2.356 -1.613 -6.933 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.269 -2.828 -6.076 1.00 0.00 C ATOM 811 CZ PHE A 50 -2.966 -2.823 -6.584 1.00 0.00 C ATOM 0 H PHE A 50 -5.852 3.186 -5.528 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.230 1.866 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.590 0.903 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.920 0.946 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.580 0.526 -7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.971 -1.629 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.349 -1.609 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.739 -3.762 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.431 -3.753 -6.707 1.00 0.00 H new ATOM 821 N GLU A 51 -4.941 2.916 -8.386 1.00 0.00 N ATOM 822 CA GLU A 51 -4.787 3.244 -9.830 1.00 0.00 C ATOM 823 C GLU A 51 -3.575 4.158 -10.022 1.00 0.00 C ATOM 824 O GLU A 51 -2.807 4.001 -10.951 1.00 0.00 O ATOM 825 CB GLU A 51 -6.044 3.963 -10.322 1.00 0.00 C ATOM 826 CG GLU A 51 -6.822 3.045 -11.265 1.00 0.00 C ATOM 827 CD GLU A 51 -6.726 3.584 -12.694 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.329 4.612 -12.959 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.053 2.962 -13.498 1.00 0.00 O ATOM 0 H GLU A 51 -5.854 3.136 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.642 2.325 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.669 4.245 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.771 4.884 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.420 2.033 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.866 2.988 -10.956 1.00 0.00 H new ATOM 836 N GLU A 52 -3.396 5.113 -9.149 1.00 0.00 N ATOM 837 CA GLU A 52 -2.233 6.036 -9.285 1.00 0.00 C ATOM 838 C GLU A 52 -0.972 5.217 -9.560 1.00 0.00 C ATOM 839 O GLU A 52 -0.106 5.619 -10.310 1.00 0.00 O ATOM 840 CB GLU A 52 -2.053 6.832 -7.990 1.00 0.00 C ATOM 841 CG GLU A 52 -2.397 8.299 -8.243 1.00 0.00 C ATOM 842 CD GLU A 52 -3.035 8.901 -6.989 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.064 8.393 -6.570 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.487 9.858 -6.470 1.00 0.00 O ATOM 0 H GLU A 52 -4.003 5.293 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.410 6.727 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.695 6.426 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.026 6.744 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.497 8.854 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.082 8.382 -9.087 1.00 0.00 H new ATOM 851 N LEU A 53 -0.868 4.067 -8.955 1.00 0.00 N ATOM 852 CA LEU A 53 0.329 3.209 -9.174 1.00 0.00 C ATOM 853 C LEU A 53 0.385 2.780 -10.643 1.00 0.00 C ATOM 854 O LEU A 53 -0.611 2.788 -11.339 1.00 0.00 O ATOM 855 CB LEU A 53 0.231 1.967 -8.284 1.00 0.00 C ATOM 856 CG LEU A 53 -0.022 2.380 -6.829 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.293 1.208 -5.901 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.873 3.568 -6.462 1.00 0.00 C ATOM 0 H LEU A 53 -1.564 3.683 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 53 1.231 3.768 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.576 1.323 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.152 1.388 -8.351 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.068 2.666 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.113 1.504 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.346 0.362 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.338 0.921 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.688 3.857 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.919 3.285 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.649 4.409 -7.119 1.00 0.00 H new ATOM 870 N ASP A 54 1.541 2.405 -11.121 1.00 0.00 N ATOM 871 CA ASP A 54 1.651 1.978 -12.544 1.00 0.00 C ATOM 872 C ASP A 54 0.629 0.880 -12.821 1.00 0.00 C ATOM 873 O ASP A 54 0.056 0.800 -13.888 1.00 0.00 O ATOM 874 CB ASP A 54 3.063 1.452 -12.816 1.00 0.00 C ATOM 875 CG ASP A 54 3.312 1.412 -14.325 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.820 2.293 -15.010 1.00 0.00 O ATOM 877 OD2 ASP A 54 3.990 0.500 -14.769 1.00 0.00 O ATOM 0 H ASP A 54 2.411 2.376 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 54 1.456 2.829 -13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.800 2.092 -12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.179 0.455 -12.391 1.00 0.00 H new ATOM 882 N LYS A 55 0.399 0.043 -11.857 1.00 0.00 N ATOM 883 CA LYS A 55 -0.587 -1.061 -12.029 1.00 0.00 C ATOM 884 C LYS A 55 -0.184 -1.944 -13.213 1.00 0.00 C ATOM 885 O LYS A 55 0.060 -1.470 -14.304 1.00 0.00 O ATOM 886 CB LYS A 55 -1.974 -0.472 -12.284 1.00 0.00 C ATOM 887 CG LYS A 55 -2.549 0.061 -10.971 1.00 0.00 C ATOM 888 CD LYS A 55 -3.912 -0.589 -10.705 1.00 0.00 C ATOM 889 CE LYS A 55 -4.847 -0.370 -11.922 1.00 0.00 C ATOM 890 NZ LYS A 55 -5.894 -1.430 -11.935 1.00 0.00 N ATOM 0 H LYS A 55 0.855 0.073 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.606 -1.665 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.911 0.331 -13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.634 -1.233 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.866 -0.154 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.655 1.145 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.786 -1.656 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.361 -0.160 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.311 0.615 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.272 -0.400 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.523 -1.286 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.442 -2.364 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.449 -1.381 -11.057 1.00 0.00 H new ATOM 904 N ASN A 56 -0.121 -3.229 -13.007 1.00 0.00 N ATOM 905 CA ASN A 56 0.256 -4.148 -14.120 1.00 0.00 C ATOM 906 C ASN A 56 -0.949 -5.025 -14.466 1.00 0.00 C ATOM 907 O ASN A 56 -1.037 -5.582 -15.542 1.00 0.00 O ATOM 908 CB ASN A 56 1.440 -5.035 -13.705 1.00 0.00 C ATOM 909 CG ASN A 56 1.687 -4.922 -12.199 1.00 0.00 C ATOM 910 OD1 ASN A 56 2.478 -4.114 -11.757 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.035 -5.707 -11.393 1.00 0.00 N ATOM 0 H ASN A 56 -0.314 -3.685 -12.115 1.00 0.00 H new ATOM 0 HA ASN A 56 0.553 -3.560 -14.989 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.236 -6.072 -13.970 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.335 -4.737 -14.251 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.187 -5.645 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.371 -6.385 -11.767 1.00 0.00 H new ATOM 918 N GLY A 57 -1.883 -5.143 -13.561 1.00 0.00 N ATOM 919 CA GLY A 57 -3.092 -5.971 -13.838 1.00 0.00 C ATOM 920 C GLY A 57 -2.865 -7.408 -13.371 1.00 0.00 C ATOM 921 O GLY A 57 -3.129 -8.353 -14.088 1.00 0.00 O ATOM 0 H GLY A 57 -1.861 -4.702 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.957 -5.547 -13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.314 -5.958 -14.905 1.00 0.00 H new ATOM 925 N ASP A 58 -2.396 -7.582 -12.170 1.00 0.00 N ATOM 926 CA ASP A 58 -2.173 -8.952 -11.651 1.00 0.00 C ATOM 927 C ASP A 58 -2.686 -9.009 -10.212 1.00 0.00 C ATOM 928 O ASP A 58 -2.347 -9.894 -9.451 1.00 0.00 O ATOM 929 CB ASP A 58 -0.676 -9.284 -11.704 1.00 0.00 C ATOM 930 CG ASP A 58 0.050 -8.676 -10.499 1.00 0.00 C ATOM 931 OD1 ASP A 58 -0.240 -7.540 -10.169 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.881 -9.361 -9.926 1.00 0.00 O ATOM 0 H ASP A 58 -2.157 -6.829 -11.524 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.707 -9.683 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.537 -10.365 -11.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.244 -8.900 -12.628 1.00 0.00 H new ATOM 937 N GLY A 59 -3.500 -8.058 -9.836 1.00 0.00 N ATOM 938 CA GLY A 59 -4.035 -8.043 -8.447 1.00 0.00 C ATOM 939 C GLY A 59 -2.894 -7.741 -7.476 1.00 0.00 C ATOM 940 O GLY A 59 -2.971 -8.025 -6.298 1.00 0.00 O ATOM 0 H GLY A 59 -3.816 -7.293 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.818 -7.290 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.488 -9.005 -8.208 1.00 0.00 H new ATOM 944 N GLU A 60 -1.834 -7.170 -7.973 1.00 0.00 N ATOM 945 CA GLU A 60 -0.672 -6.846 -7.101 1.00 0.00 C ATOM 946 C GLU A 60 0.001 -5.583 -7.621 1.00 0.00 C ATOM 947 O GLU A 60 -0.228 -5.153 -8.734 1.00 0.00 O ATOM 948 CB GLU A 60 0.337 -7.994 -7.150 1.00 0.00 C ATOM 949 CG GLU A 60 0.921 -8.249 -5.761 1.00 0.00 C ATOM 950 CD GLU A 60 1.756 -9.531 -5.788 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.506 -9.705 -6.734 1.00 0.00 O ATOM 952 OE2 GLU A 60 1.631 -10.317 -4.862 1.00 0.00 O ATOM 0 H GLU A 60 -1.722 -6.912 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.015 -6.698 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.148 -8.898 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.138 -7.754 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.539 -7.406 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.119 -8.340 -5.028 1.00 0.00 H new ATOM 959 N VAL A 61 0.842 -5.000 -6.829 1.00 0.00 N ATOM 960 CA VAL A 61 1.551 -3.779 -7.270 1.00 0.00 C ATOM 961 C VAL A 61 3.049 -3.994 -7.033 1.00 0.00 C ATOM 962 O VAL A 61 3.527 -5.111 -7.070 1.00 0.00 O ATOM 963 CB VAL A 61 1.002 -2.572 -6.492 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.621 -2.482 -5.090 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.293 -1.289 -7.273 1.00 0.00 C ATOM 0 H VAL A 61 1.071 -5.319 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 61 1.395 -3.579 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.074 -2.699 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.212 -1.618 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.389 -3.389 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.702 -2.375 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.904 -0.432 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.370 -1.179 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.813 -1.341 -8.250 1.00 0.00 H new ATOM 975 N SER A 62 3.801 -2.962 -6.790 1.00 0.00 N ATOM 976 CA SER A 62 5.256 -3.164 -6.561 1.00 0.00 C ATOM 977 C SER A 62 5.814 -1.969 -5.777 1.00 0.00 C ATOM 978 O SER A 62 5.165 -0.951 -5.637 1.00 0.00 O ATOM 979 CB SER A 62 5.967 -3.281 -7.915 1.00 0.00 C ATOM 980 OG SER A 62 5.568 -2.197 -8.752 1.00 0.00 O ATOM 0 H SER A 62 3.477 -1.996 -6.740 1.00 0.00 H new ATOM 0 HA SER A 62 5.421 -4.077 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.048 -3.268 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.719 -4.231 -8.388 1.00 0.00 H new ATOM 0 HG SER A 62 5.116 -2.547 -9.548 1.00 0.00 H new ATOM 986 N PHE A 63 7.013 -2.083 -5.272 1.00 0.00 N ATOM 987 CA PHE A 63 7.623 -0.958 -4.501 1.00 0.00 C ATOM 988 C PHE A 63 7.872 0.215 -5.452 1.00 0.00 C ATOM 989 O PHE A 63 7.817 1.367 -5.067 1.00 0.00 O ATOM 990 CB PHE A 63 8.959 -1.431 -3.923 1.00 0.00 C ATOM 991 CG PHE A 63 9.335 -0.657 -2.672 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.467 -0.614 -1.572 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.571 -0.004 -2.605 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.834 0.079 -0.412 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.937 0.693 -1.444 1.00 0.00 C ATOM 996 CZ PHE A 63 10.068 0.733 -0.347 1.00 0.00 C ATOM 0 H PHE A 63 7.601 -2.912 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 63 6.958 -0.645 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.898 -2.494 -3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.742 -1.314 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.512 -1.117 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.244 -0.037 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.163 0.108 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.890 1.199 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.350 1.268 0.548 1.00 0.00 H new ATOM 1006 N GLU A 64 8.153 -0.077 -6.696 1.00 0.00 N ATOM 1007 CA GLU A 64 8.415 1.013 -7.682 1.00 0.00 C ATOM 1008 C GLU A 64 7.228 1.980 -7.711 1.00 0.00 C ATOM 1009 O GLU A 64 7.383 3.160 -7.955 1.00 0.00 O ATOM 1010 CB GLU A 64 8.618 0.424 -9.082 1.00 0.00 C ATOM 1011 CG GLU A 64 10.090 0.052 -9.275 1.00 0.00 C ATOM 1012 CD GLU A 64 10.197 -1.419 -9.678 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.659 -2.249 -8.964 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.815 -1.690 -10.695 1.00 0.00 O ATOM 0 H GLU A 64 8.212 -1.024 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 64 9.317 1.546 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.990 -0.457 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.313 1.146 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.538 0.684 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.644 0.229 -8.353 1.00 0.00 H new ATOM 1021 N GLU A 65 6.046 1.494 -7.445 1.00 0.00 N ATOM 1022 CA GLU A 65 4.857 2.397 -7.439 1.00 0.00 C ATOM 1023 C GLU A 65 4.438 2.636 -5.990 1.00 0.00 C ATOM 1024 O GLU A 65 3.600 3.468 -5.698 1.00 0.00 O ATOM 1025 CB GLU A 65 3.686 1.782 -8.219 1.00 0.00 C ATOM 1026 CG GLU A 65 3.920 0.288 -8.473 1.00 0.00 C ATOM 1027 CD GLU A 65 4.864 0.105 -9.666 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.832 0.842 -9.754 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.601 -0.771 -10.472 1.00 0.00 O ATOM 0 H GLU A 65 5.851 0.516 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 65 5.123 3.337 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.760 1.919 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.565 2.302 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.347 -0.179 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.970 -0.210 -8.669 1.00 0.00 H new ATOM 1036 N PHE A 66 5.043 1.925 -5.077 1.00 0.00 N ATOM 1037 CA PHE A 66 4.728 2.104 -3.635 1.00 0.00 C ATOM 1038 C PHE A 66 5.515 3.315 -3.112 1.00 0.00 C ATOM 1039 O PHE A 66 5.576 3.569 -1.926 1.00 0.00 O ATOM 1040 CB PHE A 66 5.170 0.839 -2.895 1.00 0.00 C ATOM 1041 CG PHE A 66 4.504 0.748 -1.540 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.116 0.585 -1.454 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.272 0.827 -0.369 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.495 0.507 -0.203 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.648 0.747 0.882 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.260 0.588 0.963 1.00 0.00 C ATOM 0 H PHE A 66 5.752 1.219 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 66 3.662 2.271 -3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.920 -0.041 -3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.253 0.843 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.524 0.519 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.343 0.949 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.424 0.384 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.238 0.808 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.780 0.528 1.928 1.00 0.00 H new ATOM 1056 N GLN A 67 6.115 4.063 -4.003 1.00 0.00 N ATOM 1057 CA GLN A 67 6.902 5.266 -3.588 1.00 0.00 C ATOM 1058 C GLN A 67 5.955 6.436 -3.381 1.00 0.00 C ATOM 1059 O GLN A 67 6.132 7.251 -2.498 1.00 0.00 O ATOM 1060 CB GLN A 67 7.936 5.627 -4.656 1.00 0.00 C ATOM 1061 CG GLN A 67 8.760 4.394 -5.037 1.00 0.00 C ATOM 1062 CD GLN A 67 9.815 4.095 -3.954 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.725 4.877 -3.763 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.746 2.998 -3.223 1.00 0.00 N ATOM 0 H GLN A 67 6.094 3.891 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 67 7.426 5.042 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.434 6.024 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.594 6.412 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.102 3.533 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.251 4.559 -5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.988 2.333 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.451 2.816 -2.509 1.00 0.00 H new ATOM 1073 N VAL A 68 4.948 6.524 -4.187 1.00 0.00 N ATOM 1074 CA VAL A 68 3.975 7.634 -4.015 1.00 0.00 C ATOM 1075 C VAL A 68 3.519 7.615 -2.556 1.00 0.00 C ATOM 1076 O VAL A 68 3.203 8.631 -1.968 1.00 0.00 O ATOM 1077 CB VAL A 68 2.777 7.426 -4.940 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.125 8.779 -5.221 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.249 6.803 -6.256 1.00 0.00 C ATOM 0 H VAL A 68 4.752 5.882 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 68 4.432 8.592 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 68 2.056 6.760 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.269 8.640 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.792 9.224 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.848 9.439 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.394 6.655 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.967 7.468 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.723 5.842 -6.054 1.00 0.00 H new ATOM 1089 N LEU A 69 3.518 6.449 -1.967 1.00 0.00 N ATOM 1090 CA LEU A 69 3.125 6.304 -0.535 1.00 0.00 C ATOM 1091 C LEU A 69 4.315 6.705 0.318 1.00 0.00 C ATOM 1092 O LEU A 69 4.173 7.198 1.413 1.00 0.00 O ATOM 1093 CB LEU A 69 2.832 4.827 -0.250 1.00 0.00 C ATOM 1094 CG LEU A 69 1.436 4.603 0.362 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.550 4.591 1.883 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.456 5.700 -0.059 1.00 0.00 C ATOM 0 H LEU A 69 3.778 5.576 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 69 2.251 6.919 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.913 4.260 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.589 4.436 0.430 1.00 0.00 H new ATOM 0 HG LEU A 69 1.056 3.648 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.564 4.433 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.217 3.786 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.950 5.545 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.518 5.510 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.828 6.668 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.359 5.705 -1.145 1.00 0.00 H new ATOM 1108 N VAL A 70 5.491 6.453 -0.174 1.00 0.00 N ATOM 1109 CA VAL A 70 6.713 6.793 0.600 1.00 0.00 C ATOM 1110 C VAL A 70 6.610 8.243 1.079 1.00 0.00 C ATOM 1111 O VAL A 70 6.696 8.518 2.253 1.00 0.00 O ATOM 1112 CB VAL A 70 7.975 6.589 -0.280 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.925 7.792 -0.185 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.720 5.341 0.188 1.00 0.00 C ATOM 0 H VAL A 70 5.660 6.024 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 70 6.799 6.137 1.466 1.00 0.00 H new ATOM 0 HB VAL A 70 7.650 6.481 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.798 7.616 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.409 8.691 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.243 7.924 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.607 5.194 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.018 5.464 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.068 4.472 0.097 1.00 0.00 H new ATOM 1124 N LYS A 71 6.421 9.172 0.181 1.00 0.00 N ATOM 1125 CA LYS A 71 6.317 10.603 0.596 1.00 0.00 C ATOM 1126 C LYS A 71 4.940 10.886 1.214 1.00 0.00 C ATOM 1127 O LYS A 71 4.451 11.998 1.175 1.00 0.00 O ATOM 1128 CB LYS A 71 6.524 11.502 -0.625 1.00 0.00 C ATOM 1129 CG LYS A 71 5.352 11.332 -1.594 1.00 0.00 C ATOM 1130 CD LYS A 71 5.822 11.624 -3.021 1.00 0.00 C ATOM 1131 CE LYS A 71 4.847 12.596 -3.690 1.00 0.00 C ATOM 1132 NZ LYS A 71 3.863 11.829 -4.506 1.00 0.00 N ATOM 0 H LYS A 71 6.334 9.003 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 71 7.084 10.810 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.603 12.543 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.460 11.247 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.958 10.318 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.541 12.007 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.825 12.051 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.879 10.698 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.328 13.185 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.392 13.297 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.200 12.489 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.366 11.285 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.335 11.177 -3.891 1.00 0.00 H new ATOM 1146 N LYS A 72 4.314 9.894 1.785 1.00 0.00 N ATOM 1147 CA LYS A 72 3.003 10.079 2.398 1.00 0.00 C ATOM 1148 C LYS A 72 3.138 9.922 3.912 1.00 0.00 C ATOM 1149 O LYS A 72 2.219 10.196 4.659 1.00 0.00 O ATOM 1150 CB LYS A 72 2.074 8.999 1.858 1.00 0.00 C ATOM 1151 CG LYS A 72 0.807 9.642 1.323 1.00 0.00 C ATOM 1152 CD LYS A 72 0.326 10.699 2.314 1.00 0.00 C ATOM 1153 CE LYS A 72 -1.163 10.974 2.099 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.949 10.364 3.208 1.00 0.00 N ATOM 0 H LYS A 72 4.681 8.944 1.845 1.00 0.00 H new ATOM 0 HA LYS A 72 2.606 11.068 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.572 8.438 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.829 8.288 2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.998 10.097 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.035 8.886 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.498 10.358 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.897 11.618 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.343 12.048 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.485 10.562 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.917 10.170 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.498 9.475 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.981 11.021 4.013 1.00 0.00 H new ATOM 1168 N ILE A 73 4.277 9.469 4.375 1.00 0.00 N ATOM 1169 CA ILE A 73 4.455 9.284 5.839 1.00 0.00 C ATOM 1170 C ILE A 73 5.104 10.475 6.452 1.00 0.00 C ATOM 1171 O ILE A 73 4.698 10.974 7.484 1.00 0.00 O ATOM 1172 CB ILE A 73 5.452 8.179 6.144 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.562 7.204 4.997 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.049 7.486 7.419 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.184 6.633 4.652 1.00 0.00 C ATOM 0 H ILE A 73 5.084 9.222 3.802 1.00 0.00 H new ATOM 0 HA ILE A 73 3.455 9.081 6.222 1.00 0.00 H new ATOM 0 HB ILE A 73 6.440 8.619 6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.985 7.703 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.243 6.395 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.761 6.692 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.040 8.206 8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.054 7.058 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.278 5.931 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.777 6.116 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.515 7.445 4.366 1.00 0.00 H new ATOM 1187 N SER A 74 6.204 10.844 5.894 1.00 0.00 N ATOM 1188 CA SER A 74 6.973 11.892 6.523 1.00 0.00 C ATOM 1189 C SER A 74 6.059 13.064 6.889 1.00 0.00 C ATOM 1190 O SER A 74 5.728 13.275 8.039 1.00 0.00 O ATOM 1191 CB SER A 74 8.089 12.366 5.598 1.00 0.00 C ATOM 1192 OG SER A 74 9.240 12.676 6.372 1.00 0.00 O ATOM 0 H SER A 74 6.592 10.459 5.033 1.00 0.00 H new ATOM 0 HA SER A 74 7.424 11.495 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.325 11.592 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.765 13.244 5.039 1.00 0.00 H new ATOM 0 HG SER A 74 9.924 11.988 6.231 1.00 0.00 H new ATOM 1198 N GLN A 75 5.645 13.823 5.908 1.00 0.00 N ATOM 1199 CA GLN A 75 4.747 14.982 6.176 1.00 0.00 C ATOM 1200 C GLN A 75 5.212 15.713 7.437 1.00 0.00 C ATOM 1201 O GLN A 75 4.364 16.069 8.239 1.00 0.00 O ATOM 1202 CB GLN A 75 3.316 14.477 6.371 1.00 0.00 C ATOM 1203 CG GLN A 75 2.563 14.553 5.041 1.00 0.00 C ATOM 1204 CD GLN A 75 1.102 14.150 5.253 1.00 0.00 C ATOM 1205 OE1 GLN A 75 0.277 14.971 5.600 1.00 0.00 O ATOM 1206 NE2 GLN A 75 0.746 12.909 5.057 1.00 0.00 N ATOM 1207 OXT GLN A 75 6.409 15.905 7.578 1.00 0.00 O ATOM 0 H GLN A 75 5.893 13.688 4.928 1.00 0.00 H new ATOM 0 HA GLN A 75 4.779 15.671 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.328 13.450 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.806 15.078 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.617 15.565 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.030 13.894 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.439 12.220 4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.225 12.629 5.195 1.00 0.00 H new TER 1216 GLN A 75