USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot -150:sc= 0.441 USER MOD Set 1.2: A 100 MET CE :methyl -106:sc= -0.441 (180deg=-2.03!) USER MOD Set 1.3: A 104 THR OG1 : rot -162:sc= 1.38 USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.433 USER MOD Set 2.3: A 83 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 28 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.5) USER MOD Single : A 31 SER OG : rot -95:sc= 1.34 USER MOD Single : A 36 SER OG : rot -2:sc= -0.0899 USER MOD Single : A 39 SER OG : rot 85:sc= -0.537 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0567 (180deg=-0.347) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.48) USER MOD Single : A 54 MET CE :methyl -163:sc= -0.153 (180deg=-0.689) USER MOD Single : A 56 THR OG1 : rot 54:sc= 0.312 USER MOD Single : A 57 SER OG : rot -22:sc= 0.0229 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00563 USER MOD Single : A 61 THR OG1 : rot 1:sc= 0.579 USER MOD Single : A 63 SER OG : rot 75:sc= 0.197 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -38:sc= 0.895 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.748 K(o=-0.75,f=-4.6!) USER MOD Single : A 79 THR OG1 : rot -36:sc= 0.963 USER MOD Single : A 81 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.32) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 169:sc= 2.2 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.05 USER MOD Single : A 106 ASN : amide:sc= -0.78 K(o=-0.78,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.926 -6.935 0.966 1.00 0.00 N ATOM 33 CA ASP A 25 2.086 -6.217 0.430 1.00 0.00 C ATOM 34 C ASP A 25 2.165 -4.810 1.000 1.00 0.00 C ATOM 35 O ASP A 25 3.241 -4.213 1.059 1.00 0.00 O ATOM 36 CB ASP A 25 2.046 -6.144 -1.102 1.00 0.00 C ATOM 37 CG ASP A 25 2.646 -7.364 -1.779 1.00 0.00 C ATOM 38 OD1 ASP A 25 3.859 -7.606 -1.611 1.00 0.00 O ATOM 39 OD2 ASP A 25 1.918 -8.077 -2.503 1.00 0.00 O ATOM 0 HA ASP A 25 2.972 -6.777 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.012 -6.030 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.583 -5.254 -1.430 1.00 0.00 H new ATOM 44 N GLY A 26 1.027 -4.293 1.433 1.00 0.00 N ATOM 45 CA GLY A 26 0.964 -2.929 1.900 1.00 0.00 C ATOM 46 C GLY A 26 0.256 -2.043 0.904 1.00 0.00 C ATOM 47 O GLY A 26 -0.136 -2.499 -0.170 1.00 0.00 O ATOM 0 H GLY A 26 0.142 -4.799 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.443 -2.893 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.973 -2.554 2.072 1.00 0.00 H new ATOM 51 N VAL A 27 0.067 -0.788 1.257 1.00 0.00 N ATOM 52 CA VAL A 27 -0.560 0.152 0.347 1.00 0.00 C ATOM 53 C VAL A 27 0.480 1.054 -0.308 1.00 0.00 C ATOM 54 O VAL A 27 1.355 1.616 0.358 1.00 0.00 O ATOM 55 CB VAL A 27 -1.651 1.000 1.036 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.833 0.130 1.428 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.101 1.724 2.253 1.00 0.00 C ATOM 0 H VAL A 27 0.336 -0.396 2.160 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.050 -0.440 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.989 1.751 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.592 0.744 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.255 -0.333 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.501 -0.646 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.894 2.312 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.724 0.995 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.290 2.385 1.947 1.00 0.00 H new ATOM 67 N GLN A 28 0.389 1.165 -1.619 1.00 0.00 N ATOM 68 CA GLN A 28 1.318 1.965 -2.399 1.00 0.00 C ATOM 69 C GLN A 28 0.734 3.341 -2.678 1.00 0.00 C ATOM 70 O GLN A 28 -0.440 3.468 -3.036 1.00 0.00 O ATOM 71 CB GLN A 28 1.640 1.238 -3.710 1.00 0.00 C ATOM 72 CG GLN A 28 2.284 2.095 -4.790 1.00 0.00 C ATOM 73 CD GLN A 28 3.734 2.418 -4.506 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.448 1.638 -3.881 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.179 3.570 -4.970 1.00 0.00 N ATOM 0 H GLN A 28 -0.331 0.704 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 28 2.239 2.101 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.304 0.402 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.717 0.815 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.214 1.577 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.724 3.025 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.552 4.189 -5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.150 3.842 -4.814 1.00 0.00 H new ATOM 84 N ILE A 29 1.552 4.364 -2.500 1.00 0.00 N ATOM 85 CA ILE A 29 1.142 5.724 -2.805 1.00 0.00 C ATOM 86 C ILE A 29 1.219 5.954 -4.306 1.00 0.00 C ATOM 87 O ILE A 29 2.305 5.959 -4.891 1.00 0.00 O ATOM 88 CB ILE A 29 2.013 6.775 -2.082 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.962 6.563 -0.565 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.559 8.187 -2.444 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.783 7.564 0.221 1.00 0.00 C ATOM 0 H ILE A 29 2.505 4.279 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 29 0.118 5.843 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 29 3.045 6.653 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.925 6.619 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.316 5.558 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.184 8.914 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.649 8.333 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.520 8.323 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.697 7.349 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.828 7.493 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.416 8.571 0.023 1.00 0.00 H new ATOM 103 N ASP A 30 0.063 6.132 -4.916 1.00 0.00 N ATOM 104 CA ASP A 30 -0.035 6.298 -6.357 1.00 0.00 C ATOM 105 C ASP A 30 0.443 7.672 -6.777 1.00 0.00 C ATOM 106 O ASP A 30 1.489 7.815 -7.408 1.00 0.00 O ATOM 107 CB ASP A 30 -1.479 6.104 -6.812 1.00 0.00 C ATOM 108 CG ASP A 30 -1.645 6.279 -8.307 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.230 5.384 -9.069 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.208 7.311 -8.724 1.00 0.00 O ATOM 0 H ASP A 30 -0.833 6.166 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 30 0.600 5.546 -6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.816 5.107 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.119 6.817 -6.293 1.00 0.00 H new ATOM 115 N SER A 31 -0.322 8.686 -6.421 1.00 0.00 N ATOM 116 CA SER A 31 0.002 10.040 -6.822 1.00 0.00 C ATOM 117 C SER A 31 -0.472 11.053 -5.792 1.00 0.00 C ATOM 118 O SER A 31 -1.462 10.830 -5.089 1.00 0.00 O ATOM 119 CB SER A 31 -0.611 10.337 -8.193 1.00 0.00 C ATOM 120 OG SER A 31 -1.962 9.903 -8.261 1.00 0.00 O ATOM 0 H SER A 31 -1.168 8.598 -5.858 1.00 0.00 H new ATOM 0 HA SER A 31 1.086 10.126 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.561 11.408 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.028 9.841 -8.969 1.00 0.00 H new ATOM 0 HG SER A 31 -1.998 9.004 -8.650 1.00 0.00 H new ATOM 126 N VAL A 32 0.260 12.150 -5.689 1.00 0.00 N ATOM 127 CA VAL A 32 -0.097 13.240 -4.800 1.00 0.00 C ATOM 128 C VAL A 32 -0.860 14.309 -5.575 1.00 0.00 C ATOM 129 O VAL A 32 -0.313 14.953 -6.472 1.00 0.00 O ATOM 130 CB VAL A 32 1.156 13.861 -4.146 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.772 14.990 -3.209 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.958 12.804 -3.400 1.00 0.00 C ATOM 0 H VAL A 32 1.117 12.309 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.730 12.840 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 32 1.780 14.270 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.671 15.412 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.248 15.765 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.121 14.606 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.836 13.265 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.339 12.361 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.274 12.028 -4.097 1.00 0.00 H new ATOM 142 N VAL A 33 -2.121 14.483 -5.233 1.00 0.00 N ATOM 143 CA VAL A 33 -2.987 15.413 -5.939 1.00 0.00 C ATOM 144 C VAL A 33 -3.068 16.733 -5.176 1.00 0.00 C ATOM 145 O VAL A 33 -3.334 16.742 -3.973 1.00 0.00 O ATOM 146 CB VAL A 33 -4.410 14.828 -6.118 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.295 15.767 -6.925 1.00 0.00 C ATOM 148 CG2 VAL A 33 -4.348 13.453 -6.768 1.00 0.00 C ATOM 0 H VAL A 33 -2.574 13.989 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.560 15.587 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.854 14.721 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.287 15.329 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.376 16.724 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.857 15.922 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.358 13.060 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.875 13.534 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.767 12.779 -6.139 1.00 0.00 H new ATOM 158 N PRO A 34 -2.815 17.862 -5.859 1.00 0.00 N ATOM 159 CA PRO A 34 -2.859 19.192 -5.239 1.00 0.00 C ATOM 160 C PRO A 34 -4.256 19.557 -4.736 1.00 0.00 C ATOM 161 O PRO A 34 -5.055 20.171 -5.449 1.00 0.00 O ATOM 162 CB PRO A 34 -2.416 20.139 -6.359 1.00 0.00 C ATOM 163 CG PRO A 34 -2.647 19.383 -7.623 1.00 0.00 C ATOM 164 CD PRO A 34 -2.455 17.933 -7.286 1.00 0.00 C ATOM 0 HA PRO A 34 -2.222 19.245 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.991 21.065 -6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.367 20.414 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.651 19.564 -8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.948 19.698 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.093 17.292 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.427 17.614 -7.457 1.00 0.00 H new ATOM 172 N GLY A 35 -4.550 19.139 -3.514 1.00 0.00 N ATOM 173 CA GLY A 35 -5.815 19.455 -2.888 1.00 0.00 C ATOM 174 C GLY A 35 -5.688 19.512 -1.382 1.00 0.00 C ATOM 175 O GLY A 35 -6.677 19.405 -0.656 1.00 0.00 O ATOM 0 H GLY A 35 -3.923 18.578 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.177 20.413 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.556 18.705 -3.164 1.00 0.00 H new ATOM 179 N SER A 36 -4.456 19.687 -0.919 1.00 0.00 N ATOM 180 CA SER A 36 -4.154 19.733 0.501 1.00 0.00 C ATOM 181 C SER A 36 -2.679 20.071 0.689 1.00 0.00 C ATOM 182 O SER A 36 -1.885 19.910 -0.241 1.00 0.00 O ATOM 183 CB SER A 36 -4.486 18.386 1.158 1.00 0.00 C ATOM 184 OG SER A 36 -3.779 17.325 0.538 1.00 0.00 O ATOM 0 H SER A 36 -3.640 19.801 -1.520 1.00 0.00 H new ATOM 0 HA SER A 36 -4.762 20.502 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.235 18.424 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.558 18.200 1.091 1.00 0.00 H new ATOM 0 HG SER A 36 -3.249 17.677 -0.207 1.00 0.00 H new ATOM 190 N PRO A 37 -2.284 20.539 1.885 1.00 0.00 N ATOM 191 CA PRO A 37 -0.883 20.877 2.180 1.00 0.00 C ATOM 192 C PRO A 37 0.044 19.659 2.113 1.00 0.00 C ATOM 193 O PRO A 37 1.263 19.789 2.226 1.00 0.00 O ATOM 194 CB PRO A 37 -0.936 21.431 3.608 1.00 0.00 C ATOM 195 CG PRO A 37 -2.201 20.895 4.182 1.00 0.00 C ATOM 196 CD PRO A 37 -3.163 20.802 3.035 1.00 0.00 C ATOM 0 HA PRO A 37 -0.478 21.580 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.072 21.109 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.933 22.521 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.040 19.918 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.585 21.552 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.888 20.001 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.729 21.725 2.907 1.00 0.00 H new ATOM 204 N ALA A 38 -0.536 18.479 1.913 1.00 0.00 N ATOM 205 CA ALA A 38 0.235 17.247 1.833 1.00 0.00 C ATOM 206 C ALA A 38 1.097 17.221 0.577 1.00 0.00 C ATOM 207 O ALA A 38 2.119 16.534 0.533 1.00 0.00 O ATOM 208 CB ALA A 38 -0.694 16.047 1.862 1.00 0.00 C ATOM 0 H ALA A 38 -1.542 18.352 1.803 1.00 0.00 H new ATOM 0 HA ALA A 38 0.898 17.202 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.107 15.131 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.265 16.051 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.378 16.096 1.015 1.00 0.00 H new ATOM 214 N SER A 39 0.693 17.986 -0.430 1.00 0.00 N ATOM 215 CA SER A 39 1.405 18.037 -1.700 1.00 0.00 C ATOM 216 C SER A 39 2.801 18.630 -1.533 1.00 0.00 C ATOM 217 O SER A 39 3.707 18.361 -2.323 1.00 0.00 O ATOM 218 CB SER A 39 0.597 18.859 -2.702 1.00 0.00 C ATOM 219 OG SER A 39 -0.716 18.337 -2.840 1.00 0.00 O ATOM 0 H SER A 39 -0.132 18.585 -0.390 1.00 0.00 H new ATOM 0 HA SER A 39 1.522 17.019 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.548 19.897 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.098 18.856 -3.670 1.00 0.00 H new ATOM 0 HG SER A 39 -1.289 18.702 -2.134 1.00 0.00 H new ATOM 225 N LYS A 40 2.964 19.437 -0.495 1.00 0.00 N ATOM 226 CA LYS A 40 4.240 20.072 -0.209 1.00 0.00 C ATOM 227 C LYS A 40 5.103 19.168 0.669 1.00 0.00 C ATOM 228 O LYS A 40 6.334 19.226 0.623 1.00 0.00 O ATOM 229 CB LYS A 40 3.987 21.430 0.469 1.00 0.00 C ATOM 230 CG LYS A 40 5.234 22.260 0.748 1.00 0.00 C ATOM 231 CD LYS A 40 5.873 21.902 2.083 1.00 0.00 C ATOM 232 CE LYS A 40 7.071 22.785 2.385 1.00 0.00 C ATOM 233 NZ LYS A 40 6.697 24.222 2.456 1.00 0.00 N ATOM 0 H LYS A 40 2.223 19.668 0.166 1.00 0.00 H new ATOM 0 HA LYS A 40 4.782 20.238 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.316 22.013 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.468 21.256 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.958 22.107 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.973 23.318 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.135 22.004 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.185 20.858 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.518 22.479 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.829 22.645 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.466 24.759 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.536 24.587 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.827 24.327 3.016 1.00 0.00 H new ATOM 247 N VAL A 41 4.454 18.316 1.449 1.00 0.00 N ATOM 248 CA VAL A 41 5.155 17.505 2.436 1.00 0.00 C ATOM 249 C VAL A 41 5.561 16.144 1.868 1.00 0.00 C ATOM 250 O VAL A 41 6.720 15.735 1.979 1.00 0.00 O ATOM 251 CB VAL A 41 4.290 17.293 3.698 1.00 0.00 C ATOM 252 CG1 VAL A 41 5.054 16.517 4.763 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.812 18.626 4.252 1.00 0.00 C ATOM 0 H VAL A 41 3.445 18.168 1.419 1.00 0.00 H new ATOM 0 HA VAL A 41 6.058 18.053 2.706 1.00 0.00 H new ATOM 0 HB VAL A 41 3.419 16.705 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.421 16.383 5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.339 15.542 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.950 17.071 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.205 18.454 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.673 19.241 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.215 19.140 3.499 1.00 0.00 H new ATOM 263 N LEU A 42 4.614 15.451 1.251 1.00 0.00 N ATOM 264 CA LEU A 42 4.845 14.083 0.806 1.00 0.00 C ATOM 265 C LEU A 42 5.267 14.032 -0.654 1.00 0.00 C ATOM 266 O LEU A 42 5.178 15.023 -1.382 1.00 0.00 O ATOM 267 CB LEU A 42 3.595 13.212 0.998 1.00 0.00 C ATOM 268 CG LEU A 42 3.188 12.917 2.449 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.575 14.138 3.117 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.221 11.746 2.498 1.00 0.00 C ATOM 0 H LEU A 42 3.682 15.811 1.048 1.00 0.00 H new ATOM 0 HA LEU A 42 5.654 13.690 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.758 13.701 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.758 12.262 0.489 1.00 0.00 H new ATOM 0 HG LEU A 42 4.091 12.656 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.299 13.892 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.300 14.952 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.686 14.446 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.941 11.548 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.329 11.987 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.699 10.862 2.076 1.00 0.00 H new ATOM 282 N THR A 43 5.725 12.863 -1.067 1.00 0.00 N ATOM 283 CA THR A 43 6.100 12.613 -2.444 1.00 0.00 C ATOM 284 C THR A 43 5.493 11.291 -2.916 1.00 0.00 C ATOM 285 O THR A 43 5.362 10.351 -2.130 1.00 0.00 O ATOM 286 CB THR A 43 7.635 12.593 -2.616 1.00 0.00 C ATOM 287 OG1 THR A 43 8.264 12.065 -1.438 1.00 0.00 O ATOM 288 CG2 THR A 43 8.167 13.986 -2.896 1.00 0.00 C ATOM 0 H THR A 43 5.847 12.058 -0.452 1.00 0.00 H new ATOM 0 HA THR A 43 5.710 13.426 -3.056 1.00 0.00 H new ATOM 0 HB THR A 43 7.868 11.952 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.236 12.057 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.250 13.945 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.717 14.370 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.917 14.645 -2.065 1.00 0.00 H new ATOM 296 N PRO A 44 5.077 11.212 -4.189 1.00 0.00 N ATOM 297 CA PRO A 44 4.404 10.031 -4.729 1.00 0.00 C ATOM 298 C PRO A 44 5.362 8.891 -5.073 1.00 0.00 C ATOM 299 O PRO A 44 6.543 9.111 -5.345 1.00 0.00 O ATOM 300 CB PRO A 44 3.739 10.567 -5.994 1.00 0.00 C ATOM 301 CG PRO A 44 4.626 11.674 -6.447 1.00 0.00 C ATOM 302 CD PRO A 44 5.227 12.275 -5.204 1.00 0.00 C ATOM 0 HA PRO A 44 3.716 9.595 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.653 9.792 -6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.730 10.926 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.404 11.300 -7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.061 12.421 -7.005 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.274 12.540 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.707 13.186 -4.909 1.00 0.00 H new ATOM 310 N GLY A 45 4.838 7.672 -5.071 1.00 0.00 N ATOM 311 CA GLY A 45 5.642 6.523 -5.432 1.00 0.00 C ATOM 312 C GLY A 45 6.270 5.829 -4.234 1.00 0.00 C ATOM 313 O GLY A 45 7.250 5.097 -4.384 1.00 0.00 O ATOM 0 H GLY A 45 3.871 7.460 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.021 5.809 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.431 6.840 -6.114 1.00 0.00 H new ATOM 317 N LEU A 46 5.708 6.041 -3.052 1.00 0.00 N ATOM 318 CA LEU A 46 6.245 5.434 -1.835 1.00 0.00 C ATOM 319 C LEU A 46 5.325 4.327 -1.326 1.00 0.00 C ATOM 320 O LEU A 46 4.167 4.234 -1.734 1.00 0.00 O ATOM 321 CB LEU A 46 6.423 6.499 -0.748 1.00 0.00 C ATOM 322 CG LEU A 46 7.195 7.753 -1.175 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.336 8.709 -0.001 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.563 7.384 -1.735 1.00 0.00 C ATOM 0 H LEU A 46 4.885 6.625 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 46 7.214 4.997 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.437 6.802 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.939 6.047 0.099 1.00 0.00 H new ATOM 0 HG LEU A 46 6.632 8.251 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.886 9.595 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.347 9.002 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.877 8.216 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.091 8.290 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.139 6.861 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.438 6.737 -2.603 1.00 0.00 H new ATOM 336 N VAL A 47 5.844 3.493 -0.434 1.00 0.00 N ATOM 337 CA VAL A 47 5.059 2.424 0.171 1.00 0.00 C ATOM 338 C VAL A 47 4.766 2.751 1.630 1.00 0.00 C ATOM 339 O VAL A 47 5.657 3.191 2.361 1.00 0.00 O ATOM 340 CB VAL A 47 5.791 1.064 0.099 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.941 -0.048 0.701 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.155 0.725 -1.336 1.00 0.00 C ATOM 0 H VAL A 47 6.811 3.537 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 47 4.129 2.346 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 47 6.708 1.149 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.480 -0.993 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.731 0.180 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.003 -0.127 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.669 -0.236 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.248 0.669 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.810 1.498 -1.738 1.00 0.00 H new ATOM 352 N ILE A 48 3.524 2.544 2.046 1.00 0.00 N ATOM 353 CA ILE A 48 3.116 2.826 3.416 1.00 0.00 C ATOM 354 C ILE A 48 3.165 1.563 4.267 1.00 0.00 C ATOM 355 O ILE A 48 2.547 0.551 3.935 1.00 0.00 O ATOM 356 CB ILE A 48 1.692 3.414 3.474 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.604 4.685 2.623 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.297 3.700 4.918 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.221 5.297 2.582 1.00 0.00 C ATOM 0 H ILE A 48 2.779 2.180 1.452 1.00 0.00 H new ATOM 0 HA ILE A 48 3.817 3.561 3.811 1.00 0.00 H new ATOM 0 HB ILE A 48 0.994 2.683 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.306 5.422 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.919 4.453 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.289 4.115 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.323 2.774 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.995 4.416 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.238 6.193 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.483 4.578 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.090 5.562 3.593 1.00 0.00 H new ATOM 371 N GLU A 49 3.903 1.636 5.362 1.00 0.00 N ATOM 372 CA GLU A 49 4.014 0.529 6.292 1.00 0.00 C ATOM 373 C GLU A 49 2.851 0.551 7.269 1.00 0.00 C ATOM 374 O GLU A 49 2.159 -0.453 7.459 1.00 0.00 O ATOM 375 CB GLU A 49 5.328 0.617 7.065 1.00 0.00 C ATOM 376 CG GLU A 49 5.640 -0.620 7.894 1.00 0.00 C ATOM 377 CD GLU A 49 6.949 -0.506 8.651 1.00 0.00 C ATOM 378 OE1 GLU A 49 7.999 -0.883 8.093 1.00 0.00 O ATOM 379 OE2 GLU A 49 6.932 -0.060 9.817 1.00 0.00 O ATOM 0 H GLU A 49 4.439 2.461 5.629 1.00 0.00 H new ATOM 0 HA GLU A 49 3.994 -0.402 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.142 0.785 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.293 1.485 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.830 -0.791 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.679 -1.490 7.239 1.00 0.00 H new ATOM 386 N SER A 50 2.625 1.706 7.873 1.00 0.00 N ATOM 387 CA SER A 50 1.608 1.815 8.903 1.00 0.00 C ATOM 388 C SER A 50 0.977 3.194 8.943 1.00 0.00 C ATOM 389 O SER A 50 1.601 4.195 8.578 1.00 0.00 O ATOM 390 CB SER A 50 2.201 1.470 10.269 1.00 0.00 C ATOM 391 OG SER A 50 3.390 2.205 10.521 1.00 0.00 O ATOM 0 H SER A 50 3.126 2.571 7.671 1.00 0.00 H new ATOM 0 HA SER A 50 0.820 1.103 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.469 1.682 11.048 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.415 0.402 10.315 1.00 0.00 H new ATOM 0 HG SER A 50 3.743 1.963 11.402 1.00 0.00 H new ATOM 397 N ILE A 51 -0.267 3.226 9.394 1.00 0.00 N ATOM 398 CA ILE A 51 -0.990 4.474 9.554 1.00 0.00 C ATOM 399 C ILE A 51 -1.230 4.767 11.034 1.00 0.00 C ATOM 400 O ILE A 51 -2.129 4.198 11.658 1.00 0.00 O ATOM 401 CB ILE A 51 -2.347 4.464 8.805 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.134 4.303 7.294 1.00 0.00 C ATOM 403 CG2 ILE A 51 -3.134 5.740 9.097 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.366 5.442 6.662 1.00 0.00 C ATOM 0 H ILE A 51 -0.798 2.396 9.657 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.370 5.257 9.118 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.924 3.612 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.601 3.371 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.105 4.217 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.083 5.713 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.323 5.814 10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.558 6.606 8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.255 5.257 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.908 6.375 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.380 5.516 7.122 1.00 0.00 H new ATOM 416 N ASN A 52 -0.380 5.624 11.589 1.00 0.00 N ATOM 417 CA ASN A 52 -0.538 6.144 12.950 1.00 0.00 C ATOM 418 C ASN A 52 -0.586 5.019 13.987 1.00 0.00 C ATOM 419 O ASN A 52 -1.382 5.053 14.927 1.00 0.00 O ATOM 420 CB ASN A 52 -1.800 7.006 13.033 1.00 0.00 C ATOM 421 CG ASN A 52 -1.676 8.130 14.047 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.035 7.987 15.087 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.270 9.269 13.734 1.00 0.00 N ATOM 0 H ASN A 52 0.445 5.982 11.107 1.00 0.00 H new ATOM 0 HA ASN A 52 0.333 6.757 13.180 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.011 7.430 12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.649 6.376 13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.205 10.068 14.365 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.793 9.349 12.862 1.00 0.00 H new ATOM 430 N GLY A 53 0.273 4.027 13.813 1.00 0.00 N ATOM 431 CA GLY A 53 0.364 2.948 14.777 1.00 0.00 C ATOM 432 C GLY A 53 -0.276 1.669 14.282 1.00 0.00 C ATOM 433 O GLY A 53 0.146 0.573 14.650 1.00 0.00 O ATOM 0 H GLY A 53 0.910 3.949 13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.412 2.759 15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.117 3.254 15.706 1.00 0.00 H new ATOM 437 N MET A 54 -1.298 1.807 13.448 1.00 0.00 N ATOM 438 CA MET A 54 -1.974 0.652 12.874 1.00 0.00 C ATOM 439 C MET A 54 -1.429 0.380 11.481 1.00 0.00 C ATOM 440 O MET A 54 -1.621 1.178 10.563 1.00 0.00 O ATOM 441 CB MET A 54 -3.491 0.873 12.829 1.00 0.00 C ATOM 442 CG MET A 54 -4.131 0.969 14.208 1.00 0.00 C ATOM 443 SD MET A 54 -5.916 1.230 14.135 1.00 0.00 S ATOM 444 CE MET A 54 -5.982 2.824 13.316 1.00 0.00 C ATOM 0 H MET A 54 -1.677 2.707 13.154 1.00 0.00 H new ATOM 0 HA MET A 54 -1.784 -0.216 13.505 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.701 1.788 12.275 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.954 0.054 12.278 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.925 0.054 14.764 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.671 1.788 14.761 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.968 3.267 13.460 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.223 3.482 13.739 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.795 2.693 12.250 1.00 0.00 H new ATOM 454 N PRO A 55 -0.722 -0.742 11.307 1.00 0.00 N ATOM 455 CA PRO A 55 -0.073 -1.065 10.041 1.00 0.00 C ATOM 456 C PRO A 55 -1.067 -1.404 8.938 1.00 0.00 C ATOM 457 O PRO A 55 -2.061 -2.097 9.169 1.00 0.00 O ATOM 458 CB PRO A 55 0.789 -2.274 10.377 1.00 0.00 C ATOM 459 CG PRO A 55 0.114 -2.914 11.544 1.00 0.00 C ATOM 460 CD PRO A 55 -0.507 -1.789 12.325 1.00 0.00 C ATOM 0 HA PRO A 55 0.493 -0.218 9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.853 -2.960 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.808 -1.976 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.643 -3.627 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.828 -3.466 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.444 -2.093 12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.150 -1.444 13.123 1.00 0.00 H new ATOM 468 N THR A 56 -0.792 -0.923 7.738 1.00 0.00 N ATOM 469 CA THR A 56 -1.678 -1.150 6.613 1.00 0.00 C ATOM 470 C THR A 56 -1.018 -2.030 5.564 1.00 0.00 C ATOM 471 O THR A 56 -0.442 -1.544 4.591 1.00 0.00 O ATOM 472 CB THR A 56 -2.123 0.174 5.975 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.977 0.987 5.688 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.069 0.924 6.901 1.00 0.00 C ATOM 0 H THR A 56 0.038 -0.373 7.519 1.00 0.00 H new ATOM 0 HA THR A 56 -2.559 -1.663 6.998 1.00 0.00 H new ATOM 0 HB THR A 56 -2.649 -0.049 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.344 0.478 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.373 1.859 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.950 0.312 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.563 1.139 7.842 1.00 0.00 H new ATOM 482 N SER A 57 -1.088 -3.329 5.784 1.00 0.00 N ATOM 483 CA SER A 57 -0.510 -4.291 4.864 1.00 0.00 C ATOM 484 C SER A 57 -1.547 -4.734 3.836 1.00 0.00 C ATOM 485 O SER A 57 -1.210 -5.337 2.818 1.00 0.00 O ATOM 486 CB SER A 57 0.026 -5.495 5.643 1.00 0.00 C ATOM 487 OG SER A 57 0.597 -6.466 4.781 1.00 0.00 O ATOM 0 H SER A 57 -1.542 -3.745 6.597 1.00 0.00 H new ATOM 0 HA SER A 57 0.317 -3.821 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.775 -5.160 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.784 -5.948 6.215 1.00 0.00 H new ATOM 0 HG SER A 57 0.235 -6.355 3.877 1.00 0.00 H new ATOM 493 N ASN A 58 -2.808 -4.426 4.107 1.00 0.00 N ATOM 494 CA ASN A 58 -3.900 -4.815 3.223 1.00 0.00 C ATOM 495 C ASN A 58 -4.758 -3.591 2.917 1.00 0.00 C ATOM 496 O ASN A 58 -4.483 -2.497 3.416 1.00 0.00 O ATOM 497 CB ASN A 58 -4.783 -5.889 3.878 1.00 0.00 C ATOM 498 CG ASN A 58 -4.047 -7.176 4.206 1.00 0.00 C ATOM 499 OD1 ASN A 58 -3.107 -7.568 3.522 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.473 -7.843 5.271 1.00 0.00 N ATOM 0 H ASN A 58 -3.101 -3.906 4.934 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.473 -5.223 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.211 -5.483 4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.615 -6.118 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.015 -8.713 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.258 -7.486 5.816 1.00 0.00 H new ATOM 507 N LEU A 59 -5.806 -3.766 2.123 1.00 0.00 N ATOM 508 CA LEU A 59 -6.737 -2.690 1.860 1.00 0.00 C ATOM 509 C LEU A 59 -7.661 -2.466 3.053 1.00 0.00 C ATOM 510 O LEU A 59 -7.877 -1.334 3.477 1.00 0.00 O ATOM 511 CB LEU A 59 -7.565 -3.009 0.622 1.00 0.00 C ATOM 512 CG LEU A 59 -6.884 -2.736 -0.719 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.851 -2.992 -1.866 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.362 -1.307 -0.773 1.00 0.00 C ATOM 0 H LEU A 59 -6.028 -4.644 1.653 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.165 -1.778 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.848 -4.061 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.487 -2.430 0.665 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.037 -3.415 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.352 -2.793 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.180 -4.031 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.715 -2.335 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.881 -1.132 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.192 -0.611 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.639 -1.153 0.028 1.00 0.00 H new ATOM 526 N THR A 60 -8.184 -3.557 3.598 1.00 0.00 N ATOM 527 CA THR A 60 -9.124 -3.492 4.709 1.00 0.00 C ATOM 528 C THR A 60 -8.489 -2.844 5.941 1.00 0.00 C ATOM 529 O THR A 60 -9.147 -2.096 6.663 1.00 0.00 O ATOM 530 CB THR A 60 -9.631 -4.904 5.053 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.964 -5.593 3.837 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.856 -4.847 5.956 1.00 0.00 C ATOM 0 H THR A 60 -7.971 -4.504 3.285 1.00 0.00 H new ATOM 0 HA THR A 60 -9.966 -2.872 4.402 1.00 0.00 H new ATOM 0 HB THR A 60 -8.842 -5.435 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.286 -6.494 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.190 -5.860 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.601 -4.335 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.656 -4.305 5.451 1.00 0.00 H new ATOM 540 N THR A 61 -7.205 -3.110 6.166 1.00 0.00 N ATOM 541 CA THR A 61 -6.484 -2.479 7.265 1.00 0.00 C ATOM 542 C THR A 61 -6.392 -0.972 7.048 1.00 0.00 C ATOM 543 O THR A 61 -6.507 -0.187 7.986 1.00 0.00 O ATOM 544 CB THR A 61 -5.066 -3.066 7.416 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.413 -3.114 6.141 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.115 -4.463 8.013 1.00 0.00 C ATOM 0 H THR A 61 -6.647 -3.754 5.606 1.00 0.00 H new ATOM 0 HA THR A 61 -7.041 -2.679 8.180 1.00 0.00 H new ATOM 0 HB THR A 61 -4.504 -2.419 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.009 -2.749 5.454 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.102 -4.854 8.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.582 -4.422 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.696 -5.117 7.362 1.00 0.00 H new ATOM 554 N TYR A 62 -6.214 -0.581 5.791 1.00 0.00 N ATOM 555 CA TYR A 62 -6.123 0.824 5.427 1.00 0.00 C ATOM 556 C TYR A 62 -7.490 1.480 5.584 1.00 0.00 C ATOM 557 O TYR A 62 -7.603 2.611 6.046 1.00 0.00 O ATOM 558 CB TYR A 62 -5.625 0.948 3.986 1.00 0.00 C ATOM 559 CG TYR A 62 -5.343 2.362 3.534 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.160 2.999 3.888 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.243 3.051 2.729 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.884 4.281 3.457 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.975 4.334 2.299 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.795 4.944 2.662 1.00 0.00 C ATOM 565 OH TYR A 62 -4.525 6.218 2.227 1.00 0.00 O ATOM 0 H TYR A 62 -6.130 -1.224 5.004 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.416 1.331 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.714 0.359 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.369 0.510 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.445 2.483 4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.167 2.574 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.960 4.762 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.688 4.858 1.680 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.365 6.710 2.113 1.00 0.00 H new ATOM 575 N SER A 63 -8.522 0.738 5.205 1.00 0.00 N ATOM 576 CA SER A 63 -9.893 1.171 5.343 1.00 0.00 C ATOM 577 C SER A 63 -10.271 1.391 6.809 1.00 0.00 C ATOM 578 O SER A 63 -10.827 2.429 7.171 1.00 0.00 O ATOM 579 CB SER A 63 -10.786 0.118 4.712 1.00 0.00 C ATOM 580 OG SER A 63 -10.615 0.074 3.303 1.00 0.00 O ATOM 0 H SER A 63 -8.423 -0.189 4.790 1.00 0.00 H new ATOM 0 HA SER A 63 -10.021 2.129 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.558 -0.859 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.828 0.333 4.948 1.00 0.00 H new ATOM 0 HG SER A 63 -9.768 -0.370 3.090 1.00 0.00 H new ATOM 586 N ALA A 64 -9.950 0.415 7.648 1.00 0.00 N ATOM 587 CA ALA A 64 -10.252 0.494 9.074 1.00 0.00 C ATOM 588 C ALA A 64 -9.535 1.673 9.719 1.00 0.00 C ATOM 589 O ALA A 64 -10.067 2.316 10.625 1.00 0.00 O ATOM 590 CB ALA A 64 -9.874 -0.805 9.770 1.00 0.00 C ATOM 0 H ALA A 64 -9.479 -0.444 7.366 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.325 0.649 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.106 -0.729 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.438 -1.629 9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.807 -0.988 9.643 1.00 0.00 H new ATOM 596 N ALA A 65 -8.338 1.962 9.230 1.00 0.00 N ATOM 597 CA ALA A 65 -7.552 3.074 9.744 1.00 0.00 C ATOM 598 C ALA A 65 -8.130 4.400 9.265 1.00 0.00 C ATOM 599 O ALA A 65 -8.290 5.341 10.043 1.00 0.00 O ATOM 600 CB ALA A 65 -6.095 2.940 9.319 1.00 0.00 C ATOM 0 H ALA A 65 -7.889 1.441 8.477 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.594 3.053 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.523 3.780 9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.686 2.008 9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.032 2.936 8.231 1.00 0.00 H new ATOM 606 N LEU A 66 -8.474 4.450 7.984 1.00 0.00 N ATOM 607 CA LEU A 66 -8.974 5.666 7.364 1.00 0.00 C ATOM 608 C LEU A 66 -10.273 6.126 8.009 1.00 0.00 C ATOM 609 O LEU A 66 -10.498 7.322 8.163 1.00 0.00 O ATOM 610 CB LEU A 66 -9.197 5.445 5.869 1.00 0.00 C ATOM 611 CG LEU A 66 -8.402 6.370 4.940 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.786 6.118 3.490 1.00 0.00 C ATOM 613 CD2 LEU A 66 -8.624 7.837 5.301 1.00 0.00 C ATOM 0 H LEU A 66 -8.414 3.653 7.351 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.224 6.443 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.942 4.412 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.259 5.569 5.655 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.343 6.148 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.214 6.782 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.569 5.082 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.851 6.310 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.048 8.469 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.683 8.078 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.300 8.012 6.327 1.00 0.00 H new ATOM 625 N LYS A 67 -11.109 5.170 8.404 1.00 0.00 N ATOM 626 CA LYS A 67 -12.421 5.470 8.976 1.00 0.00 C ATOM 627 C LYS A 67 -12.317 6.395 10.190 1.00 0.00 C ATOM 628 O LYS A 67 -13.181 7.246 10.405 1.00 0.00 O ATOM 629 CB LYS A 67 -13.139 4.174 9.363 1.00 0.00 C ATOM 630 CG LYS A 67 -14.534 4.398 9.923 1.00 0.00 C ATOM 631 CD LYS A 67 -15.235 3.088 10.234 1.00 0.00 C ATOM 632 CE LYS A 67 -16.588 3.327 10.880 1.00 0.00 C ATOM 633 NZ LYS A 67 -17.310 2.057 11.143 1.00 0.00 N ATOM 0 H LYS A 67 -10.900 4.174 8.338 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.999 5.991 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.207 3.530 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.540 3.643 10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.469 4.999 10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.127 4.966 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.364 2.515 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.613 2.489 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.452 3.868 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.193 3.960 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.229 2.265 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.463 1.552 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.745 1.463 11.783 1.00 0.00 H new ATOM 647 N THR A 68 -11.253 6.239 10.968 1.00 0.00 N ATOM 648 CA THR A 68 -11.074 7.028 12.181 1.00 0.00 C ATOM 649 C THR A 68 -10.561 8.437 11.870 1.00 0.00 C ATOM 650 O THR A 68 -10.607 9.326 12.722 1.00 0.00 O ATOM 651 CB THR A 68 -10.112 6.338 13.172 1.00 0.00 C ATOM 652 OG1 THR A 68 -8.825 6.131 12.572 1.00 0.00 O ATOM 653 CG2 THR A 68 -10.676 5.003 13.630 1.00 0.00 C ATOM 0 H THR A 68 -10.502 5.575 10.781 1.00 0.00 H new ATOM 0 HA THR A 68 -12.058 7.108 12.644 1.00 0.00 H new ATOM 0 HB THR A 68 -10.001 6.993 14.036 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.939 5.875 11.633 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.982 4.535 14.328 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.634 5.163 14.124 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.817 4.352 12.767 1.00 0.00 H new ATOM 661 N ILE A 69 -10.085 8.639 10.646 1.00 0.00 N ATOM 662 CA ILE A 69 -9.487 9.910 10.259 1.00 0.00 C ATOM 663 C ILE A 69 -10.561 10.935 9.904 1.00 0.00 C ATOM 664 O ILE A 69 -11.436 10.674 9.077 1.00 0.00 O ATOM 665 CB ILE A 69 -8.521 9.738 9.065 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.516 8.614 9.347 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.796 11.042 8.769 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.787 8.759 10.667 1.00 0.00 C ATOM 0 H ILE A 69 -10.102 7.938 9.905 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.920 10.272 11.117 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.106 9.466 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.041 7.659 9.336 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.784 8.584 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.121 10.900 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.524 11.816 8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.223 11.347 9.645 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.095 7.927 10.794 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.232 9.697 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.509 8.758 11.483 1.00 0.00 H new ATOM 680 N SER A 70 -10.487 12.096 10.541 1.00 0.00 N ATOM 681 CA SER A 70 -11.476 13.147 10.362 1.00 0.00 C ATOM 682 C SER A 70 -10.824 14.429 9.826 1.00 0.00 C ATOM 683 O SER A 70 -9.649 14.424 9.453 1.00 0.00 O ATOM 684 CB SER A 70 -12.154 13.413 11.705 1.00 0.00 C ATOM 685 OG SER A 70 -12.689 12.218 12.258 1.00 0.00 O ATOM 0 H SER A 70 -9.741 12.334 11.195 1.00 0.00 H new ATOM 0 HA SER A 70 -12.217 12.826 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.434 13.847 12.399 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.951 14.145 11.574 1.00 0.00 H new ATOM 0 HG SER A 70 -13.115 12.418 13.118 1.00 0.00 H new ATOM 691 N VAL A 71 -11.593 15.519 9.778 1.00 0.00 N ATOM 692 CA VAL A 71 -11.068 16.814 9.350 1.00 0.00 C ATOM 693 C VAL A 71 -10.193 17.413 10.444 1.00 0.00 C ATOM 694 O VAL A 71 -10.513 17.305 11.630 1.00 0.00 O ATOM 695 CB VAL A 71 -12.201 17.816 9.017 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.634 19.113 8.461 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.192 17.213 8.039 1.00 0.00 C ATOM 0 H VAL A 71 -12.581 15.529 10.031 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.482 16.639 8.447 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.728 18.040 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.450 19.800 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.972 19.566 9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.073 18.904 7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.977 17.938 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.677 16.949 7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.635 16.318 8.475 1.00 0.00 H new ATOM 707 N GLY A 72 -9.084 18.023 10.046 1.00 0.00 N ATOM 708 CA GLY A 72 -8.193 18.636 11.010 1.00 0.00 C ATOM 709 C GLY A 72 -7.499 17.599 11.859 1.00 0.00 C ATOM 710 O GLY A 72 -7.205 17.825 13.032 1.00 0.00 O ATOM 0 H GLY A 72 -8.786 18.104 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.449 19.238 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.758 19.313 11.650 1.00 0.00 H new ATOM 714 N GLU A 73 -7.252 16.450 11.256 1.00 0.00 N ATOM 715 CA GLU A 73 -6.618 15.345 11.936 1.00 0.00 C ATOM 716 C GLU A 73 -5.181 15.231 11.478 1.00 0.00 C ATOM 717 O GLU A 73 -4.866 15.537 10.333 1.00 0.00 O ATOM 718 CB GLU A 73 -7.366 14.047 11.642 1.00 0.00 C ATOM 719 CG GLU A 73 -6.924 12.879 12.504 1.00 0.00 C ATOM 720 CD GLU A 73 -6.923 13.228 13.974 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.009 13.235 14.591 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.837 13.520 14.510 1.00 0.00 O ATOM 0 H GLU A 73 -7.487 16.261 10.282 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.641 15.523 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.433 14.212 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.225 13.787 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.587 12.031 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.924 12.566 12.205 1.00 0.00 H new ATOM 729 N VAL A 74 -4.319 14.790 12.364 1.00 0.00 N ATOM 730 CA VAL A 74 -2.913 14.659 12.039 1.00 0.00 C ATOM 731 C VAL A 74 -2.545 13.184 11.961 1.00 0.00 C ATOM 732 O VAL A 74 -2.471 12.494 12.978 1.00 0.00 O ATOM 733 CB VAL A 74 -2.005 15.370 13.070 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.545 15.291 12.643 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.430 16.822 13.248 1.00 0.00 C ATOM 0 H VAL A 74 -4.564 14.515 13.315 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.750 15.140 11.075 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.112 14.860 14.028 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.078 15.797 13.381 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.244 14.246 12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.423 15.774 11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.779 17.305 13.977 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.355 17.343 12.293 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.461 16.859 13.601 1.00 0.00 H new ATOM 745 N ILE A 75 -2.336 12.703 10.752 1.00 0.00 N ATOM 746 CA ILE A 75 -2.038 11.302 10.535 1.00 0.00 C ATOM 747 C ILE A 75 -0.541 11.075 10.447 1.00 0.00 C ATOM 748 O ILE A 75 0.215 11.975 10.082 1.00 0.00 O ATOM 749 CB ILE A 75 -2.718 10.766 9.259 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.305 11.588 8.031 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.228 10.777 9.427 1.00 0.00 C ATOM 752 CD1 ILE A 75 -2.903 11.087 6.731 1.00 0.00 C ATOM 0 H ILE A 75 -2.367 13.265 9.901 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.434 10.755 11.391 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.391 9.739 9.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.604 12.625 8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.218 11.579 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.698 10.397 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.505 10.146 10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.566 11.797 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.566 11.718 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.583 10.060 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.991 11.123 6.793 1.00 0.00 H new ATOM 764 N ASN A 76 -0.125 9.866 10.771 1.00 0.00 N ATOM 765 CA ASN A 76 1.286 9.529 10.798 1.00 0.00 C ATOM 766 C ASN A 76 1.559 8.355 9.870 1.00 0.00 C ATOM 767 O ASN A 76 1.175 7.222 10.149 1.00 0.00 O ATOM 768 CB ASN A 76 1.707 9.191 12.224 1.00 0.00 C ATOM 769 CG ASN A 76 3.202 9.033 12.370 1.00 0.00 C ATOM 770 OD1 ASN A 76 3.981 9.706 11.699 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.609 8.139 13.249 1.00 0.00 N ATOM 0 H ASN A 76 -0.747 9.097 11.020 1.00 0.00 H new ATOM 0 HA ASN A 76 1.867 10.384 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.362 9.977 12.896 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.217 8.268 12.534 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.607 7.984 13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.926 7.603 13.784 1.00 0.00 H new ATOM 778 N ILE A 77 2.212 8.639 8.766 1.00 0.00 N ATOM 779 CA ILE A 77 2.453 7.642 7.738 1.00 0.00 C ATOM 780 C ILE A 77 3.913 7.216 7.741 1.00 0.00 C ATOM 781 O ILE A 77 4.807 7.994 7.398 1.00 0.00 O ATOM 782 CB ILE A 77 2.075 8.180 6.339 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.628 8.680 6.334 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.267 7.099 5.285 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.208 9.318 5.026 1.00 0.00 C ATOM 0 H ILE A 77 2.591 9.562 8.552 1.00 0.00 H new ATOM 0 HA ILE A 77 1.825 6.780 7.961 1.00 0.00 H new ATOM 0 HB ILE A 77 2.732 9.016 6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.037 7.844 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.501 9.404 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.997 7.494 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.310 6.783 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.632 6.245 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.828 9.648 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.848 10.176 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.302 8.591 4.220 1.00 0.00 H new ATOM 797 N THR A 78 4.149 5.983 8.151 1.00 0.00 N ATOM 798 CA THR A 78 5.484 5.424 8.148 1.00 0.00 C ATOM 799 C THR A 78 5.753 4.760 6.805 1.00 0.00 C ATOM 800 O THR A 78 5.105 3.781 6.455 1.00 0.00 O ATOM 801 CB THR A 78 5.645 4.396 9.283 1.00 0.00 C ATOM 802 OG1 THR A 78 5.218 4.983 10.523 1.00 0.00 O ATOM 803 CG2 THR A 78 7.088 3.935 9.404 1.00 0.00 C ATOM 0 H THR A 78 3.427 5.348 8.492 1.00 0.00 H new ATOM 0 HA THR A 78 6.202 6.228 8.308 1.00 0.00 H new ATOM 0 HB THR A 78 5.029 3.527 9.052 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.318 4.329 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.172 3.210 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.402 3.472 8.468 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.727 4.792 9.617 1.00 0.00 H new ATOM 811 N THR A 79 6.684 5.307 6.044 1.00 0.00 N ATOM 812 CA THR A 79 6.962 4.799 4.713 1.00 0.00 C ATOM 813 C THR A 79 8.407 4.340 4.587 1.00 0.00 C ATOM 814 O THR A 79 9.182 4.408 5.544 1.00 0.00 O ATOM 815 CB THR A 79 6.702 5.872 3.637 1.00 0.00 C ATOM 816 OG1 THR A 79 7.606 6.970 3.816 1.00 0.00 O ATOM 817 CG2 THR A 79 5.269 6.377 3.695 1.00 0.00 C ATOM 0 H THR A 79 7.259 6.101 6.324 1.00 0.00 H new ATOM 0 HA THR A 79 6.292 3.953 4.558 1.00 0.00 H new ATOM 0 HB THR A 79 6.864 5.416 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.759 7.115 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.118 7.132 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.583 5.546 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.077 6.815 4.674 1.00 0.00 H new ATOM 825 N ASP A 80 8.757 3.888 3.392 1.00 0.00 N ATOM 826 CA ASP A 80 10.134 3.535 3.059 1.00 0.00 C ATOM 827 C ASP A 80 11.051 4.755 3.148 1.00 0.00 C ATOM 828 O ASP A 80 12.246 4.632 3.404 1.00 0.00 O ATOM 829 CB ASP A 80 10.179 2.929 1.652 1.00 0.00 C ATOM 830 CG ASP A 80 11.575 2.889 1.063 1.00 0.00 C ATOM 831 OD1 ASP A 80 12.402 2.079 1.526 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.840 3.660 0.115 1.00 0.00 O ATOM 0 H ASP A 80 8.098 3.755 2.625 1.00 0.00 H new ATOM 0 HA ASP A 80 10.492 2.800 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.777 1.916 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.530 3.507 0.994 1.00 0.00 H new ATOM 837 N GLN A 81 10.480 5.938 2.956 1.00 0.00 N ATOM 838 CA GLN A 81 11.253 7.171 3.022 1.00 0.00 C ATOM 839 C GLN A 81 11.205 7.781 4.415 1.00 0.00 C ATOM 840 O GLN A 81 11.659 8.905 4.632 1.00 0.00 O ATOM 841 CB GLN A 81 10.754 8.179 1.987 1.00 0.00 C ATOM 842 CG GLN A 81 11.167 7.844 0.564 1.00 0.00 C ATOM 843 CD GLN A 81 12.672 7.841 0.386 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.276 8.872 0.088 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.291 6.685 0.563 1.00 0.00 N ATOM 0 H GLN A 81 9.489 6.069 2.754 1.00 0.00 H new ATOM 0 HA GLN A 81 12.290 6.921 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.666 8.231 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.133 9.168 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.770 6.866 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.724 8.568 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.756 5.852 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.303 6.627 0.453 1.00 0.00 H new ATOM 854 N GLY A 82 10.663 7.034 5.353 1.00 0.00 N ATOM 855 CA GLY A 82 10.631 7.484 6.725 1.00 0.00 C ATOM 856 C GLY A 82 9.228 7.720 7.226 1.00 0.00 C ATOM 857 O GLY A 82 8.255 7.496 6.505 1.00 0.00 O ATOM 0 H GLY A 82 10.242 6.119 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.119 6.743 7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.205 8.407 6.814 1.00 0.00 H new ATOM 861 N THR A 83 9.128 8.178 8.461 1.00 0.00 N ATOM 862 CA THR A 83 7.845 8.415 9.095 1.00 0.00 C ATOM 863 C THR A 83 7.461 9.890 9.003 1.00 0.00 C ATOM 864 O THR A 83 8.119 10.744 9.594 1.00 0.00 O ATOM 865 CB THR A 83 7.896 7.991 10.575 1.00 0.00 C ATOM 866 OG1 THR A 83 8.501 6.695 10.688 1.00 0.00 O ATOM 867 CG2 THR A 83 6.504 7.948 11.182 1.00 0.00 C ATOM 0 H THR A 83 9.932 8.395 9.051 1.00 0.00 H new ATOM 0 HA THR A 83 7.095 7.821 8.573 1.00 0.00 H new ATOM 0 HB THR A 83 8.489 8.728 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.533 6.430 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.572 7.646 12.227 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.049 8.936 11.119 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.891 7.231 10.636 1.00 0.00 H new ATOM 875 N PHE A 84 6.408 10.189 8.254 1.00 0.00 N ATOM 876 CA PHE A 84 5.950 11.564 8.110 1.00 0.00 C ATOM 877 C PHE A 84 4.606 11.742 8.791 1.00 0.00 C ATOM 878 O PHE A 84 3.799 10.819 8.830 1.00 0.00 O ATOM 879 CB PHE A 84 5.802 11.951 6.641 1.00 0.00 C ATOM 880 CG PHE A 84 7.003 11.641 5.790 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.089 12.503 5.757 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.038 10.495 5.012 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.186 12.226 4.964 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.134 10.213 4.218 1.00 0.00 C ATOM 885 CZ PHE A 84 9.208 11.080 4.193 1.00 0.00 C ATOM 0 H PHE A 84 5.857 9.502 7.739 1.00 0.00 H new ATOM 0 HA PHE A 84 6.699 12.206 8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.936 11.434 6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.595 13.019 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.077 13.400 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.200 9.814 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.026 12.905 4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.150 9.315 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.064 10.863 3.572 1.00 0.00 H new ATOM 895 N HIS A 85 4.365 12.927 9.316 1.00 0.00 N ATOM 896 CA HIS A 85 3.079 13.245 9.907 1.00 0.00 C ATOM 897 C HIS A 85 2.481 14.463 9.226 1.00 0.00 C ATOM 898 O HIS A 85 3.120 15.511 9.131 1.00 0.00 O ATOM 899 CB HIS A 85 3.180 13.455 11.425 1.00 0.00 C ATOM 900 CG HIS A 85 4.236 14.424 11.875 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.534 14.049 12.143 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.170 15.749 12.142 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.218 15.098 12.555 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.415 16.147 12.566 1.00 0.00 N ATOM 0 H HIS A 85 5.044 13.688 9.346 1.00 0.00 H new ATOM 0 HA HIS A 85 2.418 12.393 9.750 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.214 13.802 11.791 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.372 12.491 11.896 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.298 16.378 12.040 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.261 15.100 12.837 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.675 17.094 12.843 1.00 0.00 H new ATOM 913 N LEU A 86 1.266 14.310 8.735 1.00 0.00 N ATOM 914 CA LEU A 86 0.599 15.351 7.987 1.00 0.00 C ATOM 915 C LEU A 86 -0.808 15.577 8.512 1.00 0.00 C ATOM 916 O LEU A 86 -1.399 14.692 9.126 1.00 0.00 O ATOM 917 CB LEU A 86 0.537 14.986 6.503 1.00 0.00 C ATOM 918 CG LEU A 86 -0.030 13.596 6.175 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.609 13.578 4.769 1.00 0.00 C ATOM 920 CD2 LEU A 86 1.048 12.529 6.308 1.00 0.00 C ATOM 0 H LEU A 86 0.716 13.458 8.845 1.00 0.00 H new ATOM 0 HA LEU A 86 1.172 16.270 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.068 15.734 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.544 15.053 6.090 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.825 13.377 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.007 12.587 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.410 14.314 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.174 13.821 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.625 11.553 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.864 12.748 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.428 12.522 7.329 1.00 0.00 H new ATOM 932 N LYS A 87 -1.338 16.761 8.261 1.00 0.00 N ATOM 933 CA LYS A 87 -2.672 17.110 8.684 1.00 0.00 C ATOM 934 C LYS A 87 -3.647 16.969 7.521 1.00 0.00 C ATOM 935 O LYS A 87 -3.286 17.178 6.358 1.00 0.00 O ATOM 936 CB LYS A 87 -2.687 18.543 9.207 1.00 0.00 C ATOM 937 CG LYS A 87 -2.529 19.582 8.113 1.00 0.00 C ATOM 938 CD LYS A 87 -2.185 20.953 8.669 1.00 0.00 C ATOM 939 CE LYS A 87 -3.312 21.506 9.526 1.00 0.00 C ATOM 940 NZ LYS A 87 -2.968 22.832 10.099 1.00 0.00 N ATOM 0 H LYS A 87 -0.852 17.503 7.758 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.980 16.434 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.624 18.720 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.884 18.666 9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.747 19.265 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.453 19.646 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.273 20.887 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.981 21.639 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.217 21.593 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.532 20.807 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.761 23.177 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.119 22.744 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.783 23.506 9.329 1.00 0.00 H new ATOM 954 N THR A 88 -4.865 16.584 7.833 1.00 0.00 N ATOM 955 CA THR A 88 -5.916 16.495 6.836 1.00 0.00 C ATOM 956 C THR A 88 -6.569 17.854 6.618 1.00 0.00 C ATOM 957 O THR A 88 -6.983 18.521 7.568 1.00 0.00 O ATOM 958 CB THR A 88 -6.987 15.467 7.232 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.456 15.729 8.562 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.435 14.051 7.149 1.00 0.00 C ATOM 0 H THR A 88 -5.156 16.325 8.776 1.00 0.00 H new ATOM 0 HA THR A 88 -5.451 16.166 5.907 1.00 0.00 H new ATOM 0 HB THR A 88 -7.819 15.556 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.253 15.188 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.211 13.341 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.112 13.846 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.586 13.951 7.825 1.00 0.00 H new ATOM 968 N GLY A 89 -6.648 18.260 5.361 1.00 0.00 N ATOM 969 CA GLY A 89 -7.223 19.542 5.030 1.00 0.00 C ATOM 970 C GLY A 89 -8.722 19.470 4.867 1.00 0.00 C ATOM 971 O GLY A 89 -9.344 18.454 5.192 1.00 0.00 O ATOM 0 H GLY A 89 -6.321 17.719 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.978 20.261 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.776 19.911 4.107 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.944 14.456 6.281 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.598 14.131 5.789 1.00 0.00 C ATOM 1103 C ALA A 98 -10.534 14.105 4.263 1.00 0.00 C ATOM 1104 O ALA A 98 -11.168 13.274 3.619 1.00 0.00 O ATOM 1105 CB ALA A 98 -10.119 12.802 6.363 1.00 0.00 C ATOM 0 HA ALA A 98 -9.933 14.924 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.121 12.581 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.090 12.865 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.804 12.008 6.064 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.771 15.017 3.675 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.627 15.030 2.224 1.00 0.00 C ATOM 1113 C TYR A 99 -8.475 14.125 1.793 1.00 0.00 C ATOM 1114 O TYR A 99 -8.663 13.211 0.994 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.408 16.454 1.713 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.945 16.672 0.315 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.309 16.816 0.103 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -9.101 16.736 -0.789 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.821 17.015 -1.162 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -9.608 16.938 -2.061 1.00 0.00 C ATOM 1121 CZ TYR A 99 -10.968 17.077 -2.240 1.00 0.00 C ATOM 1122 OH TYR A 99 -11.479 17.280 -3.501 1.00 0.00 O ATOM 0 H TYR A 99 -9.252 15.744 4.167 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.550 14.649 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.889 17.156 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.341 16.678 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.983 16.771 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.035 16.627 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.886 17.122 -1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.941 16.987 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.746 17.300 -4.152 1.00 0.00 H new ATOM 1132 N MET A 100 -7.289 14.392 2.345 1.00 0.00 N ATOM 1133 CA MET A 100 -6.081 13.607 2.064 1.00 0.00 C ATOM 1134 C MET A 100 -5.750 13.629 0.570 1.00 0.00 C ATOM 1135 O MET A 100 -6.258 12.821 -0.208 1.00 0.00 O ATOM 1136 CB MET A 100 -6.241 12.164 2.563 1.00 0.00 C ATOM 1137 CG MET A 100 -4.959 11.347 2.503 1.00 0.00 C ATOM 1138 SD MET A 100 -5.146 9.709 3.232 1.00 0.00 S ATOM 1139 CE MET A 100 -3.452 9.122 3.190 1.00 0.00 C ATOM 0 H MET A 100 -7.137 15.159 3.000 1.00 0.00 H new ATOM 0 HA MET A 100 -5.250 14.064 2.601 1.00 0.00 H new ATOM 0 HB2 MET A 100 -6.601 12.183 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.006 11.666 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.646 11.245 1.464 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.166 11.884 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.345 8.377 2.402 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.782 9.959 2.992 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.199 8.673 4.150 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.878 14.550 0.183 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.612 14.786 -1.224 1.00 0.00 C ATOM 1151 C GLY A 101 -3.579 13.853 -1.830 1.00 0.00 C ATOM 1152 O GLY A 101 -2.768 14.275 -2.645 1.00 0.00 O ATOM 0 H GLY A 101 -4.347 15.142 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.544 14.687 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.274 15.815 -1.350 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.597 12.589 -1.440 1.00 0.00 N ATOM 1157 CA ILE A 102 -2.758 11.585 -2.080 1.00 0.00 C ATOM 1158 C ILE A 102 -3.568 10.315 -2.274 1.00 0.00 C ATOM 1159 O ILE A 102 -4.375 9.949 -1.418 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.449 11.274 -1.293 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -1.731 10.570 0.042 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.656 12.546 -1.040 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.566 9.067 -0.011 1.00 0.00 C ATOM 0 H ILE A 102 -4.182 12.232 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.441 11.992 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.862 10.598 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.062 10.973 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.748 10.803 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.253 12.304 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.392 13.006 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.260 13.241 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.782 8.642 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.255 8.651 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.542 8.823 -0.294 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.376 9.660 -3.400 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.148 8.471 -3.706 1.00 0.00 C ATOM 1177 C ARG A 103 -3.323 7.223 -3.438 1.00 0.00 C ATOM 1178 O ARG A 103 -2.121 7.196 -3.697 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.618 8.495 -5.158 1.00 0.00 C ATOM 1180 CG ARG A 103 -6.055 8.021 -5.347 1.00 0.00 C ATOM 1181 CD ARG A 103 -7.071 9.000 -4.754 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.026 9.055 -3.287 1.00 0.00 N ATOM 1183 CZ ARG A 103 -7.486 10.076 -2.561 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.064 11.115 -3.150 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -7.374 10.050 -1.238 1.00 0.00 N ATOM 0 H ARG A 103 -2.698 9.927 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.026 8.454 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.527 9.511 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.957 7.867 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.256 7.892 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.178 7.045 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.884 9.996 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.073 8.711 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.617 8.263 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.160 11.138 -4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.413 11.891 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.937 9.251 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.725 10.829 -0.681 1.00 0.00 H new ATOM 1199 N THR A 104 -3.970 6.200 -2.912 1.00 0.00 N ATOM 1200 CA THR A 104 -3.293 4.965 -2.564 1.00 0.00 C ATOM 1201 C THR A 104 -3.982 3.753 -3.185 1.00 0.00 C ATOM 1202 O THR A 104 -5.186 3.774 -3.456 1.00 0.00 O ATOM 1203 CB THR A 104 -3.238 4.789 -1.038 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.450 5.282 -0.446 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.043 5.515 -0.447 1.00 0.00 C ATOM 0 H THR A 104 -4.971 6.201 -2.715 1.00 0.00 H new ATOM 0 HA THR A 104 -2.280 5.031 -2.961 1.00 0.00 H new ATOM 0 HB THR A 104 -3.133 3.726 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.307 5.436 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.029 5.373 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.125 5.115 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.116 6.579 -0.673 1.00 0.00 H new ATOM 1213 N SER A 105 -3.197 2.716 -3.443 1.00 0.00 N ATOM 1214 CA SER A 105 -3.710 1.441 -3.923 1.00 0.00 C ATOM 1215 C SER A 105 -2.778 0.333 -3.454 1.00 0.00 C ATOM 1216 O SER A 105 -1.603 0.579 -3.213 1.00 0.00 O ATOM 1217 CB SER A 105 -3.808 1.442 -5.451 1.00 0.00 C ATOM 1218 OG SER A 105 -4.571 2.550 -5.904 1.00 0.00 O ATOM 0 H SER A 105 -2.184 2.736 -3.325 1.00 0.00 H new ATOM 0 HA SER A 105 -4.710 1.276 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.809 1.481 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.267 0.514 -5.792 1.00 0.00 H new ATOM 0 HG SER A 105 -4.621 2.535 -6.883 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.291 -0.876 -3.323 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.492 -1.984 -2.804 1.00 0.00 C ATOM 1226 C ASN A 106 -1.387 -2.375 -3.778 1.00 0.00 C ATOM 1227 O ASN A 106 -0.320 -2.828 -3.365 1.00 0.00 O ATOM 1228 CB ASN A 106 -3.369 -3.206 -2.464 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.195 -3.746 -3.631 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.847 -3.597 -4.799 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -5.300 -4.400 -3.314 1.00 0.00 N ATOM 0 H ASN A 106 -4.251 -1.121 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.026 -1.637 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.727 -4.004 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.045 -2.936 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.887 -4.796 -4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.565 -4.509 -2.335 1.00 0.00 H new