USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 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 68 MET CE :methyl 176:sc= -3.62! (180deg=-1.8) USER MOD Set 1.2: A 71 GLN : amide:sc= -8.14! C(o=-12!,f=-21!) USER MOD Set 2.1: A 61 SER OG : rot -54:sc= 1.97 USER MOD Set 2.2: A 82 TYR OH : rot 55:sc= 1.21 USER MOD Single : A 12 ASN : amide:sc= -2.82 X(o=-2.8,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000717 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0191 (180deg=-0.225) USER MOD Single : A 39 MET CE :methyl 172:sc= -6.58! (180deg=-7.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.155 K(o=-0.16,f=-2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.029 USER MOD Single : A 69 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.45) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.267 F(o=-1.6,f=-0.27) USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.238 USER MOD Single : A 81 SER OG : rot 32:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.192 7.953 1.201 1.00 0.00 N ATOM 60 CA GLY A 7 -0.256 6.982 1.736 1.00 0.00 C ATOM 61 C GLY A 7 -0.751 6.347 3.021 1.00 0.00 C ATOM 62 O GLY A 7 -1.109 7.046 3.968 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.081 6.203 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.702 7.468 1.920 1.00 0.00 H new ATOM 66 N ILE A 8 -0.772 5.019 3.052 1.00 0.00 N ATOM 67 CA ILE A 8 -1.227 4.290 4.230 1.00 0.00 C ATOM 68 C ILE A 8 -0.049 3.730 5.019 1.00 0.00 C ATOM 69 O ILE A 8 0.990 3.394 4.450 1.00 0.00 O ATOM 70 CB ILE A 8 -2.170 3.134 3.847 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.460 2.158 2.906 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.437 3.675 3.201 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.067 0.773 2.902 1.00 0.00 C ATOM 0 H ILE A 8 -0.479 4.426 2.275 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.771 5.002 4.851 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.449 2.597 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.485 2.560 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.411 2.085 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.093 2.846 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.950 4.334 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.177 4.233 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.513 0.135 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.018 0.351 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.108 0.833 2.584 1.00 0.00 H new ATOM 85 N PHE A 9 -0.218 3.631 6.334 1.00 0.00 N ATOM 86 CA PHE A 9 0.831 3.110 7.202 1.00 0.00 C ATOM 87 C PHE A 9 0.540 1.667 7.601 1.00 0.00 C ATOM 88 O PHE A 9 -0.573 1.337 8.013 1.00 0.00 O ATOM 89 CB PHE A 9 0.964 3.980 8.454 1.00 0.00 C ATOM 90 CG PHE A 9 1.733 3.321 9.563 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.116 3.243 9.514 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.074 2.779 10.654 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.827 2.638 10.533 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.779 2.173 11.676 1.00 0.00 C ATOM 95 CZ PHE A 9 3.157 2.101 11.615 1.00 0.00 C ATOM 0 H PHE A 9 -1.071 3.905 6.821 1.00 0.00 H new ATOM 0 HA PHE A 9 1.770 3.133 6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.457 4.915 8.186 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.032 4.237 8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.644 3.660 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.003 2.831 10.706 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.905 2.585 10.483 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.253 1.756 12.522 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.710 1.626 12.412 1.00 0.00 H new ATOM 105 N ILE A 10 1.548 0.810 7.476 1.00 0.00 N ATOM 106 CA ILE A 10 1.402 -0.598 7.824 1.00 0.00 C ATOM 107 C ILE A 10 2.514 -1.051 8.764 1.00 0.00 C ATOM 108 O ILE A 10 3.672 -0.670 8.601 1.00 0.00 O ATOM 109 CB ILE A 10 1.409 -1.491 6.570 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.443 -0.941 5.519 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.043 -2.922 6.936 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.784 -1.360 4.106 1.00 0.00 C ATOM 0 H ILE A 10 2.475 1.066 7.136 1.00 0.00 H new ATOM 0 HA ILE A 10 0.441 -0.700 8.328 1.00 0.00 H new ATOM 0 HB ILE A 10 2.414 -1.490 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.567 -1.276 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.439 0.148 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.052 -3.541 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.767 -3.311 7.652 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.047 -2.941 7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.057 -0.934 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.781 -1.001 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.760 -2.447 4.033 1.00 0.00 H new ATOM 124 N GLY A 11 2.153 -1.868 9.748 1.00 0.00 N ATOM 125 CA GLY A 11 3.132 -2.362 10.699 1.00 0.00 C ATOM 126 C GLY A 11 2.976 -3.844 10.977 1.00 0.00 C ATOM 127 O GLY A 11 1.930 -4.427 10.695 1.00 0.00 O ATOM 0 H GLY A 11 1.200 -2.197 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.134 -2.171 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.037 -1.809 11.633 1.00 0.00 H new ATOM 131 N ASN A 12 4.019 -4.454 11.530 1.00 0.00 N ATOM 132 CA ASN A 12 3.993 -5.878 11.843 1.00 0.00 C ATOM 133 C ASN A 12 4.047 -6.717 10.570 1.00 0.00 C ATOM 134 O ASN A 12 3.230 -7.617 10.371 1.00 0.00 O ATOM 135 CB ASN A 12 2.734 -6.223 12.641 1.00 0.00 C ATOM 136 CG ASN A 12 2.912 -7.464 13.495 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.400 -7.390 14.623 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.516 -8.613 12.959 1.00 0.00 N ATOM 0 H ASN A 12 4.892 -3.985 11.771 1.00 0.00 H new ATOM 0 HA ASN A 12 4.872 -6.108 12.445 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.470 -5.380 13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.902 -6.375 11.954 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.611 -9.481 13.486 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.117 -8.627 12.020 1.00 0.00 H new ATOM 145 N LEU A 13 5.014 -6.415 9.710 1.00 0.00 N ATOM 146 CA LEU A 13 5.176 -7.141 8.456 1.00 0.00 C ATOM 147 C LEU A 13 6.244 -8.223 8.587 1.00 0.00 C ATOM 148 O LEU A 13 7.320 -7.985 9.135 1.00 0.00 O ATOM 149 CB LEU A 13 5.549 -6.176 7.329 1.00 0.00 C ATOM 150 CG LEU A 13 4.397 -5.367 6.731 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.922 -4.105 6.063 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.612 -6.211 5.738 1.00 0.00 C ATOM 0 H LEU A 13 5.697 -5.672 9.859 1.00 0.00 H new ATOM 0 HA LEU A 13 4.226 -7.620 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.298 -5.480 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.019 -6.747 6.529 1.00 0.00 H new ATOM 0 HG LEU A 13 3.726 -5.074 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.089 -3.542 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.440 -3.491 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.615 -4.376 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.796 -5.619 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.272 -6.534 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.204 -7.085 6.246 1.00 0.00 H new ATOM 164 N ASP A 14 5.939 -9.412 8.078 1.00 0.00 N ATOM 165 CA ASP A 14 6.873 -10.530 8.135 1.00 0.00 C ATOM 166 C ASP A 14 8.192 -10.172 7.457 1.00 0.00 C ATOM 167 O ASP A 14 8.225 -9.521 6.412 1.00 0.00 O ATOM 168 CB ASP A 14 6.264 -11.766 7.470 1.00 0.00 C ATOM 169 CG ASP A 14 7.055 -13.027 7.758 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.796 -13.665 8.801 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.931 -13.377 6.941 1.00 0.00 O ATOM 0 H ASP A 14 5.052 -9.626 7.621 1.00 0.00 H new ATOM 0 HA ASP A 14 7.072 -10.751 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.240 -11.895 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.216 -11.609 6.392 1.00 0.00 H new ATOM 176 N PRO A 15 9.307 -10.604 8.065 1.00 0.00 N ATOM 177 CA PRO A 15 10.649 -10.339 7.538 1.00 0.00 C ATOM 178 C PRO A 15 10.931 -11.114 6.255 1.00 0.00 C ATOM 179 O PRO A 15 11.969 -10.925 5.622 1.00 0.00 O ATOM 180 CB PRO A 15 11.572 -10.815 8.664 1.00 0.00 C ATOM 181 CG PRO A 15 10.775 -11.834 9.402 1.00 0.00 C ATOM 182 CD PRO A 15 9.343 -11.384 9.313 1.00 0.00 C ATOM 0 HA PRO A 15 10.783 -9.290 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.492 -11.244 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.860 -9.990 9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.901 -12.823 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.098 -11.905 10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.657 -12.231 9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.058 -10.779 10.173 1.00 0.00 H new ATOM 190 N GLU A 16 10.001 -11.985 5.878 1.00 0.00 N ATOM 191 CA GLU A 16 10.151 -12.787 4.670 1.00 0.00 C ATOM 192 C GLU A 16 9.467 -12.116 3.483 1.00 0.00 C ATOM 193 O GLU A 16 9.579 -12.578 2.346 1.00 0.00 O ATOM 194 CB GLU A 16 9.569 -14.186 4.885 1.00 0.00 C ATOM 195 CG GLU A 16 10.019 -14.840 6.181 1.00 0.00 C ATOM 196 CD GLU A 16 11.309 -15.621 6.023 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.644 -15.990 4.878 1.00 0.00 O ATOM 198 OE2 GLU A 16 11.984 -15.862 7.046 1.00 0.00 O ATOM 0 H GLU A 16 9.136 -12.153 6.392 1.00 0.00 H new ATOM 0 HA GLU A 16 11.215 -12.874 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.481 -14.123 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.856 -14.822 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.154 -14.072 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.235 -15.508 6.538 1.00 0.00 H new ATOM 205 N ILE A 17 8.758 -11.026 3.754 1.00 0.00 N ATOM 206 CA ILE A 17 8.056 -10.292 2.709 1.00 0.00 C ATOM 207 C ILE A 17 8.936 -9.193 2.124 1.00 0.00 C ATOM 208 O ILE A 17 9.803 -8.648 2.807 1.00 0.00 O ATOM 209 CB ILE A 17 6.754 -9.663 3.240 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.895 -10.724 3.931 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.982 -9.006 2.106 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.950 -10.156 4.968 1.00 0.00 C ATOM 0 H ILE A 17 8.654 -10.631 4.689 1.00 0.00 H new ATOM 0 HA ILE A 17 7.810 -11.012 1.928 1.00 0.00 H new ATOM 0 HB ILE A 17 7.010 -8.896 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.316 -11.258 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.548 -11.455 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.065 -8.566 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.594 -8.226 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.733 -9.754 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.373 -10.965 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.523 -9.646 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.272 -9.447 4.493 1.00 0.00 H new ATOM 224 N ASP A 18 8.705 -8.870 0.856 1.00 0.00 N ATOM 225 CA ASP A 18 9.475 -7.833 0.179 1.00 0.00 C ATOM 226 C ASP A 18 8.552 -6.785 -0.436 1.00 0.00 C ATOM 227 O ASP A 18 7.331 -6.865 -0.301 1.00 0.00 O ATOM 228 CB ASP A 18 10.359 -8.451 -0.905 1.00 0.00 C ATOM 229 CG ASP A 18 10.909 -9.804 -0.502 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.573 -9.885 0.553 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.675 -10.783 -1.241 1.00 0.00 O ATOM 0 H ASP A 18 7.991 -9.311 0.277 1.00 0.00 H new ATOM 0 HA ASP A 18 10.109 -7.344 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.782 -8.556 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.187 -7.776 -1.123 1.00 0.00 H new ATOM 236 N GLU A 19 9.144 -5.804 -1.110 1.00 0.00 N ATOM 237 CA GLU A 19 8.375 -4.740 -1.743 1.00 0.00 C ATOM 238 C GLU A 19 7.552 -5.283 -2.908 1.00 0.00 C ATOM 239 O GLU A 19 6.514 -4.724 -3.264 1.00 0.00 O ATOM 240 CB GLU A 19 9.306 -3.630 -2.235 1.00 0.00 C ATOM 241 CG GLU A 19 9.932 -2.819 -1.113 1.00 0.00 C ATOM 242 CD GLU A 19 11.179 -3.472 -0.547 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.537 -4.572 -1.017 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.796 -2.882 0.365 1.00 0.00 O ATOM 0 H GLU A 19 10.154 -5.724 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 19 7.693 -4.328 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.099 -4.073 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.746 -2.960 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.183 -1.825 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.202 -2.686 -0.315 1.00 0.00 H new ATOM 251 N LYS A 20 8.024 -6.375 -3.499 1.00 0.00 N ATOM 252 CA LYS A 20 7.334 -6.996 -4.624 1.00 0.00 C ATOM 253 C LYS A 20 6.006 -7.601 -4.181 1.00 0.00 C ATOM 254 O LYS A 20 4.951 -7.276 -4.727 1.00 0.00 O ATOM 255 CB LYS A 20 8.214 -8.077 -5.255 1.00 0.00 C ATOM 256 CG LYS A 20 7.692 -8.585 -6.588 1.00 0.00 C ATOM 257 CD LYS A 20 8.136 -7.695 -7.736 1.00 0.00 C ATOM 258 CE LYS A 20 9.611 -7.889 -8.054 1.00 0.00 C ATOM 259 NZ LYS A 20 10.202 -6.686 -8.702 1.00 0.00 N ATOM 0 H LYS A 20 8.882 -6.849 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 20 7.131 -6.223 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.219 -7.679 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.297 -8.915 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.048 -9.601 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.603 -8.629 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.540 -7.917 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.952 -6.651 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.154 -8.110 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.731 -8.751 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.208 -6.859 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.700 -6.489 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.111 -5.869 -8.065 1.00 0.00 H new ATOM 273 N LEU A 21 6.064 -8.481 -3.187 1.00 0.00 N ATOM 274 CA LEU A 21 4.865 -9.130 -2.669 1.00 0.00 C ATOM 275 C LEU A 21 3.828 -8.097 -2.240 1.00 0.00 C ATOM 276 O LEU A 21 2.730 -8.037 -2.794 1.00 0.00 O ATOM 277 CB LEU A 21 5.221 -10.034 -1.487 1.00 0.00 C ATOM 278 CG LEU A 21 4.168 -11.071 -1.095 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.088 -12.172 -2.141 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.481 -11.656 0.275 1.00 0.00 C ATOM 0 H LEU A 21 6.929 -8.761 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 21 4.437 -9.737 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.148 -10.557 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.422 -9.404 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 21 3.198 -10.576 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.333 -12.901 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.817 -11.740 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.056 -12.666 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.722 -12.392 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.459 -12.136 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.487 -10.859 1.018 1.00 0.00 H new ATOM 292 N LEU A 22 4.185 -7.284 -1.252 1.00 0.00 N ATOM 293 CA LEU A 22 3.286 -6.250 -0.750 1.00 0.00 C ATOM 294 C LEU A 22 2.566 -5.550 -1.897 1.00 0.00 C ATOM 295 O LEU A 22 1.343 -5.407 -1.881 1.00 0.00 O ATOM 296 CB LEU A 22 4.066 -5.227 0.078 1.00 0.00 C ATOM 297 CG LEU A 22 4.411 -5.643 1.509 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.463 -4.715 2.096 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.161 -5.653 2.377 1.00 0.00 C ATOM 0 H LEU A 22 5.090 -7.320 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 22 2.540 -6.729 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.994 -4.997 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.486 -4.305 0.119 1.00 0.00 H new ATOM 0 HG LEU A 22 4.821 -6.653 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.696 -5.027 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.367 -4.758 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.082 -3.694 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.425 -5.951 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.722 -4.655 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.439 -6.360 1.967 1.00 0.00 H new ATOM 311 N TYR A 23 3.332 -5.117 -2.893 1.00 0.00 N ATOM 312 CA TYR A 23 2.767 -4.431 -4.049 1.00 0.00 C ATOM 313 C TYR A 23 1.573 -5.199 -4.608 1.00 0.00 C ATOM 314 O TYR A 23 0.596 -4.604 -5.063 1.00 0.00 O ATOM 315 CB TYR A 23 3.830 -4.258 -5.135 1.00 0.00 C ATOM 316 CG TYR A 23 3.289 -3.690 -6.428 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.589 -4.492 -7.322 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.477 -2.353 -6.756 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.093 -3.978 -8.504 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.983 -1.831 -7.935 1.00 0.00 C ATOM 321 CZ TYR A 23 2.292 -2.647 -8.806 1.00 0.00 C ATOM 322 OH TYR A 23 1.800 -2.130 -9.982 1.00 0.00 O ATOM 0 H TYR A 23 4.345 -5.229 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 23 2.425 -3.448 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.616 -3.602 -4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.291 -5.225 -5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.430 -5.534 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.019 -1.711 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.552 -4.615 -9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.137 -0.789 -8.174 1.00 0.00 H new ATOM 0 HH TYR A 23 2.026 -1.178 -10.041 1.00 0.00 H new ATOM 332 N ASP A 24 1.661 -6.524 -4.570 1.00 0.00 N ATOM 333 CA ASP A 24 0.588 -7.376 -5.071 1.00 0.00 C ATOM 334 C ASP A 24 -0.469 -7.607 -3.996 1.00 0.00 C ATOM 335 O ASP A 24 -1.649 -7.313 -4.195 1.00 0.00 O ATOM 336 CB ASP A 24 1.151 -8.716 -5.547 1.00 0.00 C ATOM 337 CG ASP A 24 1.610 -8.671 -6.991 1.00 0.00 C ATOM 338 OD1 ASP A 24 0.784 -8.951 -7.885 1.00 0.00 O ATOM 339 OD2 ASP A 24 2.795 -8.356 -7.228 1.00 0.00 O ATOM 0 H ASP A 24 2.464 -7.031 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 24 0.118 -6.869 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.989 -9.001 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.389 -9.487 -5.435 1.00 0.00 H new ATOM 344 N THR A 25 -0.039 -8.137 -2.855 1.00 0.00 N ATOM 345 CA THR A 25 -0.948 -8.411 -1.749 1.00 0.00 C ATOM 346 C THR A 25 -1.977 -7.297 -1.595 1.00 0.00 C ATOM 347 O THR A 25 -3.115 -7.540 -1.193 1.00 0.00 O ATOM 348 CB THR A 25 -0.184 -8.576 -0.422 1.00 0.00 C ATOM 349 OG1 THR A 25 0.878 -9.523 -0.582 1.00 0.00 O ATOM 350 CG2 THR A 25 -1.118 -9.037 0.687 1.00 0.00 C ATOM 0 H THR A 25 0.933 -8.385 -2.673 1.00 0.00 H new ATOM 0 HA THR A 25 -1.459 -9.345 -1.984 1.00 0.00 H new ATOM 0 HB THR A 25 0.232 -7.607 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.360 -9.621 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.556 -9.146 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.908 -8.300 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.560 -9.996 0.415 1.00 0.00 H new ATOM 358 N PHE A 26 -1.570 -6.073 -1.916 1.00 0.00 N ATOM 359 CA PHE A 26 -2.458 -4.920 -1.813 1.00 0.00 C ATOM 360 C PHE A 26 -3.085 -4.594 -3.165 1.00 0.00 C ATOM 361 O PHE A 26 -4.254 -4.216 -3.244 1.00 0.00 O ATOM 362 CB PHE A 26 -1.691 -3.705 -1.287 1.00 0.00 C ATOM 363 CG PHE A 26 -1.466 -3.735 0.198 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.844 -4.819 0.796 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.876 -2.679 0.995 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.635 -4.849 2.162 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.670 -2.703 2.361 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.049 -3.790 2.946 1.00 0.00 C ATOM 0 H PHE A 26 -0.631 -5.854 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.256 -5.168 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.726 -3.648 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.240 -2.799 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.519 -5.650 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.362 -1.827 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.148 -5.700 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.994 -1.873 2.971 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.888 -3.811 4.014 1.00 0.00 H new ATOM 378 N SER A 27 -2.299 -4.742 -4.226 1.00 0.00 N ATOM 379 CA SER A 27 -2.775 -4.460 -5.575 1.00 0.00 C ATOM 380 C SER A 27 -4.210 -4.945 -5.758 1.00 0.00 C ATOM 381 O SER A 27 -4.975 -4.377 -6.537 1.00 0.00 O ATOM 382 CB SER A 27 -1.865 -5.124 -6.610 1.00 0.00 C ATOM 383 OG SER A 27 -2.457 -5.105 -7.897 1.00 0.00 O ATOM 0 H SER A 27 -1.330 -5.056 -4.178 1.00 0.00 H new ATOM 0 HA SER A 27 -2.753 -3.380 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.906 -4.607 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.663 -6.154 -6.314 1.00 0.00 H new ATOM 0 HG SER A 27 -1.855 -5.534 -8.540 1.00 0.00 H new ATOM 389 N ALA A 28 -4.568 -6.000 -5.033 1.00 0.00 N ATOM 390 CA ALA A 28 -5.910 -6.562 -5.113 1.00 0.00 C ATOM 391 C ALA A 28 -6.968 -5.496 -4.846 1.00 0.00 C ATOM 392 O ALA A 28 -7.915 -5.340 -5.617 1.00 0.00 O ATOM 393 CB ALA A 28 -6.060 -7.714 -4.131 1.00 0.00 C ATOM 0 H ALA A 28 -3.947 -6.482 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.059 -6.940 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.068 -8.124 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.334 -8.492 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.886 -7.353 -3.117 1.00 0.00 H new ATOM 399 N PHE A 29 -6.801 -4.766 -3.748 1.00 0.00 N ATOM 400 CA PHE A 29 -7.743 -3.716 -3.378 1.00 0.00 C ATOM 401 C PHE A 29 -7.744 -2.596 -4.415 1.00 0.00 C ATOM 402 O PHE A 29 -8.782 -2.266 -4.987 1.00 0.00 O ATOM 403 CB PHE A 29 -7.392 -3.149 -2.001 1.00 0.00 C ATOM 404 CG PHE A 29 -7.430 -4.175 -0.904 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.632 -4.539 -0.319 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.263 -4.774 -0.458 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.669 -5.482 0.691 1.00 0.00 C ATOM 408 CE2 PHE A 29 -6.294 -5.718 0.552 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.499 -6.073 1.126 1.00 0.00 C ATOM 0 H PHE A 29 -6.023 -4.882 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.740 -4.154 -3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.396 -2.708 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.087 -2.345 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.550 -4.081 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.318 -4.501 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.612 -5.756 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.377 -6.177 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.526 -6.811 1.914 1.00 0.00 H new ATOM 419 N GLY A 30 -6.572 -2.015 -4.652 1.00 0.00 N ATOM 420 CA GLY A 30 -6.459 -0.939 -5.619 1.00 0.00 C ATOM 421 C GLY A 30 -5.075 -0.853 -6.232 1.00 0.00 C ATOM 422 O GLY A 30 -4.142 -1.509 -5.770 1.00 0.00 O ATOM 0 H GLY A 30 -5.699 -2.270 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.195 -1.087 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.698 0.008 -5.134 1.00 0.00 H new ATOM 426 N VAL A 31 -4.942 -0.042 -7.277 1.00 0.00 N ATOM 427 CA VAL A 31 -3.662 0.128 -7.955 1.00 0.00 C ATOM 428 C VAL A 31 -2.725 1.016 -7.145 1.00 0.00 C ATOM 429 O VAL A 31 -3.137 2.049 -6.615 1.00 0.00 O ATOM 430 CB VAL A 31 -3.846 0.738 -9.357 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.500 0.917 -10.042 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.771 -0.130 -10.198 1.00 0.00 C ATOM 0 H VAL A 31 -5.705 0.508 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.222 -0.864 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.305 1.721 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.650 1.349 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.874 1.582 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.010 -0.052 -10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.890 0.316 -11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.342 -1.127 -10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.744 -0.201 -9.712 1.00 0.00 H new ATOM 442 N ILE A 32 -1.464 0.608 -7.053 1.00 0.00 N ATOM 443 CA ILE A 32 -0.468 1.369 -6.309 1.00 0.00 C ATOM 444 C ILE A 32 0.160 2.452 -7.180 1.00 0.00 C ATOM 445 O ILE A 32 0.480 2.219 -8.346 1.00 0.00 O ATOM 446 CB ILE A 32 0.646 0.455 -5.764 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.085 -0.487 -4.697 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.784 1.289 -5.196 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.047 -1.582 -4.292 1.00 0.00 C ATOM 0 H ILE A 32 -1.108 -0.245 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.987 1.835 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 32 1.037 -0.147 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.183 0.095 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.833 -0.941 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.563 0.629 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.197 1.923 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.408 1.913 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.583 -2.212 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.296 -2.188 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.956 -1.137 -3.888 1.00 0.00 H new ATOM 461 N LEU A 33 0.335 3.637 -6.605 1.00 0.00 N ATOM 462 CA LEU A 33 0.926 4.758 -7.328 1.00 0.00 C ATOM 463 C LEU A 33 2.385 4.474 -7.672 1.00 0.00 C ATOM 464 O LEU A 33 2.839 4.766 -8.778 1.00 0.00 O ATOM 465 CB LEU A 33 0.826 6.037 -6.495 1.00 0.00 C ATOM 466 CG LEU A 33 -0.552 6.697 -6.441 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.525 7.917 -5.533 1.00 0.00 C ATOM 468 CD2 LEU A 33 -1.015 7.080 -7.839 1.00 0.00 C ATOM 0 H LEU A 33 0.076 3.846 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 33 0.372 4.893 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.137 5.808 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.538 6.761 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.261 5.979 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.515 8.373 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.238 7.615 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.197 8.639 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.998 7.548 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.305 7.780 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.075 6.186 -8.460 1.00 0.00 H new ATOM 480 N GLN A 34 3.113 3.902 -6.718 1.00 0.00 N ATOM 481 CA GLN A 34 4.519 3.578 -6.921 1.00 0.00 C ATOM 482 C GLN A 34 4.976 2.498 -5.946 1.00 0.00 C ATOM 483 O GLN A 34 4.404 2.338 -4.867 1.00 0.00 O ATOM 484 CB GLN A 34 5.382 4.830 -6.755 1.00 0.00 C ATOM 485 CG GLN A 34 5.268 5.469 -5.380 1.00 0.00 C ATOM 486 CD GLN A 34 6.210 6.644 -5.203 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.761 7.164 -6.173 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.399 7.069 -3.959 1.00 0.00 N ATOM 0 H GLN A 34 2.752 3.654 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 34 4.635 3.197 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.424 4.570 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.096 5.561 -7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.243 5.803 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.480 4.720 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.921 6.608 -3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.022 7.856 -3.778 1.00 0.00 H new ATOM 497 N THR A 35 6.010 1.757 -6.332 1.00 0.00 N ATOM 498 CA THR A 35 6.543 0.691 -5.493 1.00 0.00 C ATOM 499 C THR A 35 6.554 1.101 -4.025 1.00 0.00 C ATOM 500 O THR A 35 6.908 2.226 -3.672 1.00 0.00 O ATOM 501 CB THR A 35 7.972 0.303 -5.917 1.00 0.00 C ATOM 502 OG1 THR A 35 7.991 -0.056 -7.303 1.00 0.00 O ATOM 503 CG2 THR A 35 8.489 -0.857 -5.080 1.00 0.00 C ATOM 0 H THR A 35 6.495 1.876 -7.221 1.00 0.00 H new ATOM 0 HA THR A 35 5.888 -0.170 -5.622 1.00 0.00 H new ATOM 0 HB THR A 35 8.621 1.164 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.903 -0.300 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.500 -1.113 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.501 -0.570 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.837 -1.721 -5.213 1.00 0.00 H new ATOM 511 N PRO A 36 6.158 0.168 -3.147 1.00 0.00 N ATOM 512 CA PRO A 36 6.115 0.409 -1.701 1.00 0.00 C ATOM 513 C PRO A 36 7.507 0.532 -1.092 1.00 0.00 C ATOM 514 O PRO A 36 8.462 -0.083 -1.570 1.00 0.00 O ATOM 515 CB PRO A 36 5.400 -0.830 -1.156 1.00 0.00 C ATOM 516 CG PRO A 36 5.661 -1.893 -2.166 1.00 0.00 C ATOM 517 CD PRO A 36 5.722 -1.194 -3.496 1.00 0.00 C ATOM 0 HA PRO A 36 5.616 1.347 -1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.787 -1.111 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.331 -0.650 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.596 -2.411 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.871 -2.644 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.425 -1.680 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.752 -1.190 -3.993 1.00 0.00 H new ATOM 525 N LYS A 37 7.617 1.328 -0.034 1.00 0.00 N ATOM 526 CA LYS A 37 8.893 1.531 0.642 1.00 0.00 C ATOM 527 C LYS A 37 8.866 0.933 2.045 1.00 0.00 C ATOM 528 O LYS A 37 7.916 1.142 2.800 1.00 0.00 O ATOM 529 CB LYS A 37 9.222 3.023 0.718 1.00 0.00 C ATOM 530 CG LYS A 37 10.711 3.315 0.788 1.00 0.00 C ATOM 531 CD LYS A 37 11.344 3.323 -0.593 1.00 0.00 C ATOM 532 CE LYS A 37 11.068 4.628 -1.325 1.00 0.00 C ATOM 533 NZ LYS A 37 11.819 5.767 -0.729 1.00 0.00 N ATOM 0 H LYS A 37 6.837 1.844 0.374 1.00 0.00 H new ATOM 0 HA LYS A 37 9.666 1.024 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.803 3.524 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.735 3.450 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.871 4.280 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.201 2.565 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.420 3.176 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.957 2.488 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.343 4.521 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.000 4.842 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.841 6.559 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.350 6.071 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.792 5.467 -0.515 1.00 0.00 H new ATOM 547 N ILE A 38 9.913 0.191 2.388 1.00 0.00 N ATOM 548 CA ILE A 38 10.009 -0.434 3.701 1.00 0.00 C ATOM 549 C ILE A 38 11.161 0.157 4.508 1.00 0.00 C ATOM 550 O ILE A 38 12.327 0.013 4.141 1.00 0.00 O ATOM 551 CB ILE A 38 10.205 -1.957 3.587 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.050 -2.584 2.804 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.315 -2.582 4.970 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.316 -4.010 2.374 1.00 0.00 C ATOM 0 H ILE A 38 10.707 0.008 1.775 1.00 0.00 H new ATOM 0 HA ILE A 38 9.069 -0.235 4.215 1.00 0.00 H new ATOM 0 HB ILE A 38 11.132 -2.150 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.150 -2.560 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.849 -1.978 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.453 -3.659 4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.167 -2.153 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.403 -2.383 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.455 -4.391 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.197 -4.038 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.487 -4.630 3.254 1.00 0.00 H new ATOM 566 N MET A 39 10.826 0.819 5.610 1.00 0.00 N ATOM 567 CA MET A 39 11.833 1.429 6.471 1.00 0.00 C ATOM 568 C MET A 39 12.474 0.385 7.380 1.00 0.00 C ATOM 569 O MET A 39 11.996 0.133 8.485 1.00 0.00 O ATOM 570 CB MET A 39 11.207 2.541 7.315 1.00 0.00 C ATOM 571 CG MET A 39 10.852 3.784 6.515 1.00 0.00 C ATOM 572 SD MET A 39 9.491 3.504 5.366 1.00 0.00 S ATOM 573 CE MET A 39 8.185 3.032 6.496 1.00 0.00 C ATOM 0 H MET A 39 9.865 0.947 5.928 1.00 0.00 H new ATOM 0 HA MET A 39 12.608 1.858 5.835 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.306 2.158 7.795 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.900 2.816 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.584 4.588 7.200 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.729 4.117 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.242 2.964 5.954 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.419 2.064 6.939 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.098 3.780 7.284 1.00 0.00 H new ATOM 691 N LYS A 48 12.420 -4.028 9.553 1.00 0.00 N ATOM 692 CA LYS A 48 12.037 -3.505 10.859 1.00 0.00 C ATOM 693 C LYS A 48 10.669 -4.034 11.277 1.00 0.00 C ATOM 694 O LYS A 48 10.539 -4.714 12.294 1.00 0.00 O ATOM 695 CB LYS A 48 12.018 -1.975 10.833 1.00 0.00 C ATOM 696 CG LYS A 48 13.388 -1.347 11.018 1.00 0.00 C ATOM 697 CD LYS A 48 13.738 -1.193 12.488 1.00 0.00 C ATOM 698 CE LYS A 48 14.883 -0.212 12.690 1.00 0.00 C ATOM 699 NZ LYS A 48 14.996 0.224 14.109 1.00 0.00 N ATOM 0 HA LYS A 48 12.775 -3.841 11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.600 -1.641 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.353 -1.615 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.141 -1.963 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.410 -0.371 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.862 -0.849 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.012 -2.164 12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.818 -0.676 12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.731 0.660 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.788 0.892 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.113 0.690 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.167 -0.604 14.714 1.00 0.00 H new ATOM 713 N GLY A 49 9.649 -3.719 10.483 1.00 0.00 N ATOM 714 CA GLY A 49 8.305 -4.172 10.787 1.00 0.00 C ATOM 715 C GLY A 49 7.242 -3.217 10.279 1.00 0.00 C ATOM 716 O GLY A 49 6.067 -3.573 10.195 1.00 0.00 O ATOM 0 H GLY A 49 9.731 -3.158 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.147 -5.155 10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.199 -4.288 11.866 1.00 0.00 H new ATOM 720 N TYR A 50 7.655 -2.001 9.941 1.00 0.00 N ATOM 721 CA TYR A 50 6.730 -0.991 9.442 1.00 0.00 C ATOM 722 C TYR A 50 7.114 -0.548 8.033 1.00 0.00 C ATOM 723 O TYR A 50 8.293 -0.393 7.719 1.00 0.00 O ATOM 724 CB TYR A 50 6.707 0.217 10.380 1.00 0.00 C ATOM 725 CG TYR A 50 8.071 0.600 10.908 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.620 -0.049 12.006 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.811 1.611 10.307 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.865 0.298 12.492 1.00 0.00 C ATOM 729 CE2 TYR A 50 10.058 1.963 10.785 1.00 0.00 C ATOM 730 CZ TYR A 50 10.581 1.304 11.878 1.00 0.00 C ATOM 731 OH TYR A 50 11.823 1.652 12.359 1.00 0.00 O ATOM 0 H TYR A 50 8.625 -1.691 10.004 1.00 0.00 H new ATOM 0 HA TYR A 50 5.734 -1.433 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.279 1.069 9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.049 0.001 11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.063 -0.839 12.488 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.404 2.130 9.452 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.276 -0.216 13.349 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.621 2.750 10.305 1.00 0.00 H new ATOM 0 HH TYR A 50 12.194 2.377 11.814 1.00 0.00 H new ATOM 741 N ALA A 51 6.107 -0.346 7.189 1.00 0.00 N ATOM 742 CA ALA A 51 6.338 0.082 5.815 1.00 0.00 C ATOM 743 C ALA A 51 5.255 1.051 5.352 1.00 0.00 C ATOM 744 O ALA A 51 4.168 1.103 5.928 1.00 0.00 O ATOM 745 CB ALA A 51 6.399 -1.125 4.890 1.00 0.00 C ATOM 0 H ALA A 51 5.125 -0.472 7.433 1.00 0.00 H new ATOM 0 HA ALA A 51 7.295 0.603 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.572 -0.791 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.213 -1.780 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.456 -1.669 4.939 1.00 0.00 H new ATOM 751 N PHE A 52 5.558 1.817 4.310 1.00 0.00 N ATOM 752 CA PHE A 52 4.611 2.785 3.771 1.00 0.00 C ATOM 753 C PHE A 52 4.197 2.409 2.351 1.00 0.00 C ATOM 754 O PHE A 52 5.040 2.107 1.507 1.00 0.00 O ATOM 755 CB PHE A 52 5.221 4.188 3.782 1.00 0.00 C ATOM 756 CG PHE A 52 5.285 4.804 5.150 1.00 0.00 C ATOM 757 CD1 PHE A 52 4.138 4.942 5.916 1.00 0.00 C ATOM 758 CD2 PHE A 52 6.491 5.244 5.671 1.00 0.00 C ATOM 759 CE1 PHE A 52 4.193 5.508 7.176 1.00 0.00 C ATOM 760 CE2 PHE A 52 6.552 5.810 6.931 1.00 0.00 C ATOM 761 CZ PHE A 52 5.402 5.943 7.683 1.00 0.00 C ATOM 0 H PHE A 52 6.453 1.786 3.822 1.00 0.00 H new ATOM 0 HA PHE A 52 3.723 2.778 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.227 4.141 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.636 4.835 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.190 4.603 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.394 5.144 5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.292 5.610 7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.499 6.148 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.448 6.387 8.667 1.00 0.00 H new ATOM 771 N ILE A 53 2.893 2.430 2.096 1.00 0.00 N ATOM 772 CA ILE A 53 2.367 2.093 0.780 1.00 0.00 C ATOM 773 C ILE A 53 1.367 3.141 0.302 1.00 0.00 C ATOM 774 O ILE A 53 0.431 3.492 1.018 1.00 0.00 O ATOM 775 CB ILE A 53 1.684 0.712 0.783 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.652 -0.358 1.291 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.185 0.364 -0.612 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.141 -1.770 1.110 1.00 0.00 C ATOM 0 H ILE A 53 2.182 2.677 2.784 1.00 0.00 H new ATOM 0 HA ILE A 53 3.217 2.068 0.098 1.00 0.00 H new ATOM 0 HB ILE A 53 0.827 0.748 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.603 -0.254 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.850 -0.185 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.705 -0.614 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.466 1.115 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.026 0.342 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.879 -2.476 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.206 -1.891 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.970 -1.962 0.051 1.00 0.00 H new ATOM 790 N ASN A 54 1.572 3.635 -0.915 1.00 0.00 N ATOM 791 CA ASN A 54 0.688 4.642 -1.490 1.00 0.00 C ATOM 792 C ASN A 54 -0.301 4.006 -2.462 1.00 0.00 C ATOM 793 O ASN A 54 0.026 3.043 -3.155 1.00 0.00 O ATOM 794 CB ASN A 54 1.505 5.719 -2.207 1.00 0.00 C ATOM 795 CG ASN A 54 2.350 6.537 -1.250 1.00 0.00 C ATOM 796 OD1 ASN A 54 3.020 5.991 -0.373 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.321 7.855 -1.414 1.00 0.00 N ATOM 0 H ASN A 54 2.342 3.354 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 54 0.126 5.103 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.152 5.248 -2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.831 6.382 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.868 8.458 -0.800 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.751 8.264 -2.154 1.00 0.00 H new ATOM 804 N PHE A 55 -1.511 4.553 -2.508 1.00 0.00 N ATOM 805 CA PHE A 55 -2.549 4.040 -3.395 1.00 0.00 C ATOM 806 C PHE A 55 -2.899 5.063 -4.472 1.00 0.00 C ATOM 807 O PHE A 55 -2.630 6.254 -4.322 1.00 0.00 O ATOM 808 CB PHE A 55 -3.801 3.677 -2.594 1.00 0.00 C ATOM 809 CG PHE A 55 -3.809 2.257 -2.105 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.241 1.229 -2.927 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.384 1.949 -0.822 1.00 0.00 C ATOM 812 CE1 PHE A 55 -4.250 -0.079 -2.481 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.389 0.643 -0.370 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.824 -0.372 -1.200 1.00 0.00 C ATOM 0 H PHE A 55 -1.797 5.351 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.165 3.143 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.883 4.348 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.681 3.844 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.575 1.453 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.045 2.739 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.589 -0.871 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.053 0.416 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.831 -1.393 -0.848 1.00 0.00 H new ATOM 824 N ALA A 56 -3.501 4.588 -5.557 1.00 0.00 N ATOM 825 CA ALA A 56 -3.889 5.460 -6.659 1.00 0.00 C ATOM 826 C ALA A 56 -4.884 6.519 -6.195 1.00 0.00 C ATOM 827 O ALA A 56 -4.698 7.710 -6.446 1.00 0.00 O ATOM 828 CB ALA A 56 -4.480 4.641 -7.797 1.00 0.00 C ATOM 0 H ALA A 56 -3.731 3.604 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.996 5.970 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.765 5.305 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.739 3.926 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.360 4.105 -7.441 1.00 0.00 H new ATOM 834 N SER A 57 -5.939 6.078 -5.519 1.00 0.00 N ATOM 835 CA SER A 57 -6.965 6.989 -5.024 1.00 0.00 C ATOM 836 C SER A 57 -7.300 6.689 -3.566 1.00 0.00 C ATOM 837 O SER A 57 -6.739 5.774 -2.963 1.00 0.00 O ATOM 838 CB SER A 57 -8.228 6.882 -5.881 1.00 0.00 C ATOM 839 OG SER A 57 -9.032 8.041 -5.751 1.00 0.00 O ATOM 0 H SER A 57 -6.106 5.096 -5.301 1.00 0.00 H new ATOM 0 HA SER A 57 -6.575 8.005 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.951 6.743 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.800 6.003 -5.583 1.00 0.00 H new ATOM 0 HG SER A 57 -9.832 7.949 -6.309 1.00 0.00 H new ATOM 845 N PHE A 58 -8.218 7.469 -3.004 1.00 0.00 N ATOM 846 CA PHE A 58 -8.628 7.289 -1.617 1.00 0.00 C ATOM 847 C PHE A 58 -9.470 6.026 -1.457 1.00 0.00 C ATOM 848 O PHE A 58 -9.216 5.206 -0.575 1.00 0.00 O ATOM 849 CB PHE A 58 -9.420 8.507 -1.135 1.00 0.00 C ATOM 850 CG PHE A 58 -8.879 9.813 -1.643 1.00 0.00 C ATOM 851 CD1 PHE A 58 -9.294 10.321 -2.864 1.00 0.00 C ATOM 852 CD2 PHE A 58 -7.957 10.532 -0.901 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.798 11.522 -3.335 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.457 11.734 -1.366 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.879 12.230 -2.585 1.00 0.00 C ATOM 0 H PHE A 58 -8.692 8.232 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.729 7.184 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.458 8.405 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.420 8.522 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.013 9.772 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.625 10.149 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.129 11.907 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.738 12.285 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.491 13.169 -2.951 1.00 0.00 H new ATOM 865 N ASP A 59 -10.471 5.878 -2.317 1.00 0.00 N ATOM 866 CA ASP A 59 -11.351 4.715 -2.273 1.00 0.00 C ATOM 867 C ASP A 59 -10.543 3.428 -2.135 1.00 0.00 C ATOM 868 O ASP A 59 -10.921 2.524 -1.391 1.00 0.00 O ATOM 869 CB ASP A 59 -12.217 4.656 -3.532 1.00 0.00 C ATOM 870 CG ASP A 59 -13.119 3.438 -3.558 1.00 0.00 C ATOM 871 OD1 ASP A 59 -12.633 2.348 -3.927 1.00 0.00 O ATOM 872 OD2 ASP A 59 -14.310 3.574 -3.210 1.00 0.00 O ATOM 0 H ASP A 59 -10.694 6.548 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.998 4.812 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.827 5.557 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.574 4.647 -4.412 1.00 0.00 H new ATOM 877 N ALA A 60 -9.431 3.353 -2.858 1.00 0.00 N ATOM 878 CA ALA A 60 -8.570 2.178 -2.816 1.00 0.00 C ATOM 879 C ALA A 60 -7.927 2.017 -1.442 1.00 0.00 C ATOM 880 O ALA A 60 -7.805 0.905 -0.929 1.00 0.00 O ATOM 881 CB ALA A 60 -7.500 2.268 -3.894 1.00 0.00 C ATOM 0 H ALA A 60 -9.105 4.093 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.187 1.300 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.864 1.384 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.974 2.326 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.894 3.159 -3.731 1.00 0.00 H new ATOM 887 N SER A 61 -7.517 3.135 -0.851 1.00 0.00 N ATOM 888 CA SER A 61 -6.882 3.118 0.461 1.00 0.00 C ATOM 889 C SER A 61 -7.852 2.617 1.527 1.00 0.00 C ATOM 890 O SER A 61 -7.474 1.857 2.419 1.00 0.00 O ATOM 891 CB SER A 61 -6.382 4.516 0.828 1.00 0.00 C ATOM 892 OG SER A 61 -7.463 5.383 1.125 1.00 0.00 O ATOM 0 H SER A 61 -7.613 4.064 -1.261 1.00 0.00 H new ATOM 0 HA SER A 61 -6.033 2.436 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.715 4.453 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.800 4.926 0.003 1.00 0.00 H new ATOM 0 HG SER A 61 -8.099 5.381 0.379 1.00 0.00 H new ATOM 898 N ASP A 62 -9.105 3.048 1.428 1.00 0.00 N ATOM 899 CA ASP A 62 -10.131 2.643 2.382 1.00 0.00 C ATOM 900 C ASP A 62 -10.295 1.126 2.393 1.00 0.00 C ATOM 901 O ASP A 62 -10.236 0.494 3.447 1.00 0.00 O ATOM 902 CB ASP A 62 -11.465 3.310 2.042 1.00 0.00 C ATOM 903 CG ASP A 62 -11.563 4.720 2.589 1.00 0.00 C ATOM 904 OD1 ASP A 62 -11.160 4.936 3.751 1.00 0.00 O ATOM 905 OD2 ASP A 62 -12.041 5.609 1.854 1.00 0.00 O ATOM 0 H ASP A 62 -9.435 3.678 0.697 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.816 2.963 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.591 3.334 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.281 2.710 2.444 1.00 0.00 H new ATOM 910 N ALA A 63 -10.501 0.550 1.213 1.00 0.00 N ATOM 911 CA ALA A 63 -10.672 -0.892 1.087 1.00 0.00 C ATOM 912 C ALA A 63 -9.740 -1.641 2.034 1.00 0.00 C ATOM 913 O ALA A 63 -10.140 -2.613 2.674 1.00 0.00 O ATOM 914 CB ALA A 63 -10.430 -1.329 -0.350 1.00 0.00 C ATOM 0 H ALA A 63 -10.553 1.060 0.331 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.698 -1.136 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.561 -2.408 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.141 -0.828 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.414 -1.064 -0.645 1.00 0.00 H new ATOM 920 N ALA A 64 -8.496 -1.181 2.118 1.00 0.00 N ATOM 921 CA ALA A 64 -7.508 -1.807 2.988 1.00 0.00 C ATOM 922 C ALA A 64 -7.854 -1.590 4.457 1.00 0.00 C ATOM 923 O ALA A 64 -8.108 -2.545 5.192 1.00 0.00 O ATOM 924 CB ALA A 64 -6.119 -1.264 2.685 1.00 0.00 C ATOM 0 H ALA A 64 -8.149 -0.377 1.594 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.517 -2.880 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.391 -1.740 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.864 -1.476 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.106 -0.187 2.849 1.00 0.00 H new ATOM 930 N ILE A 65 -7.862 -0.330 4.879 1.00 0.00 N ATOM 931 CA ILE A 65 -8.177 0.011 6.260 1.00 0.00 C ATOM 932 C ILE A 65 -9.439 -0.705 6.728 1.00 0.00 C ATOM 933 O ILE A 65 -9.679 -0.840 7.928 1.00 0.00 O ATOM 934 CB ILE A 65 -8.366 1.529 6.436 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.074 2.270 6.086 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.797 1.847 7.860 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.305 3.667 5.552 1.00 0.00 C ATOM 0 H ILE A 65 -7.654 0.472 4.284 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.331 -0.314 6.866 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.150 1.864 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.446 2.329 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.523 1.692 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.927 2.924 7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.740 1.344 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.034 1.501 8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.346 4.133 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.907 3.615 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.829 4.261 6.301 1.00 0.00 H new ATOM 949 N GLU A 66 -10.242 -1.164 5.773 1.00 0.00 N ATOM 950 CA GLU A 66 -11.479 -1.868 6.089 1.00 0.00 C ATOM 951 C GLU A 66 -11.228 -3.364 6.252 1.00 0.00 C ATOM 952 O GLU A 66 -11.606 -3.962 7.259 1.00 0.00 O ATOM 953 CB GLU A 66 -12.521 -1.631 4.993 1.00 0.00 C ATOM 954 CG GLU A 66 -13.945 -1.927 5.432 1.00 0.00 C ATOM 955 CD GLU A 66 -14.979 -1.300 4.518 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.309 -1.917 3.483 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.460 -0.193 4.838 1.00 0.00 O ATOM 0 H GLU A 66 -10.058 -1.061 4.775 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.859 -1.476 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.460 -0.594 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.278 -2.254 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.096 -3.006 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.092 -1.559 6.447 1.00 0.00 H new ATOM 964 N ALA A 67 -10.588 -3.963 5.253 1.00 0.00 N ATOM 965 CA ALA A 67 -10.284 -5.389 5.286 1.00 0.00 C ATOM 966 C ALA A 67 -8.852 -5.635 5.749 1.00 0.00 C ATOM 967 O ALA A 67 -8.620 -6.334 6.734 1.00 0.00 O ATOM 968 CB ALA A 67 -10.512 -6.008 3.915 1.00 0.00 C ATOM 0 H ALA A 67 -10.270 -3.483 4.411 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.955 -5.862 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.281 -7.073 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.553 -5.873 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.865 -5.523 3.185 1.00 0.00 H new ATOM 974 N MET A 68 -7.896 -5.055 5.031 1.00 0.00 N ATOM 975 CA MET A 68 -6.486 -5.212 5.370 1.00 0.00 C ATOM 976 C MET A 68 -6.238 -4.876 6.837 1.00 0.00 C ATOM 977 O MET A 68 -5.422 -5.514 7.500 1.00 0.00 O ATOM 978 CB MET A 68 -5.623 -4.318 4.477 1.00 0.00 C ATOM 979 CG MET A 68 -5.186 -4.990 3.185 1.00 0.00 C ATOM 980 SD MET A 68 -3.640 -5.901 3.364 1.00 0.00 S ATOM 981 CE MET A 68 -4.214 -7.585 3.159 1.00 0.00 C ATOM 0 H MET A 68 -8.071 -4.473 4.212 1.00 0.00 H new ATOM 0 HA MET A 68 -6.212 -6.254 5.203 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.181 -3.413 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.738 -4.009 5.033 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.968 -5.672 2.852 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.070 -4.234 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.362 -8.264 3.173 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.894 -7.839 3.972 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.736 -7.678 2.207 1.00 0.00 H new ATOM 991 N ASN A 69 -6.949 -3.870 7.337 1.00 0.00 N ATOM 992 CA ASN A 69 -6.805 -3.449 8.726 1.00 0.00 C ATOM 993 C ASN A 69 -6.942 -4.639 9.672 1.00 0.00 C ATOM 994 O ASN A 69 -8.050 -5.043 10.020 1.00 0.00 O ATOM 995 CB ASN A 69 -7.851 -2.387 9.070 1.00 0.00 C ATOM 996 CG ASN A 69 -7.827 -2.005 10.537 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.776 -2.024 11.178 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.989 -1.656 11.077 1.00 0.00 N ATOM 0 H ASN A 69 -7.630 -3.332 6.801 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.810 -3.022 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.676 -1.499 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.842 -2.760 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.035 -1.389 12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.836 -1.654 10.508 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.807 -5.194 10.084 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.822 -6.331 10.986 1.00 0.00 C ATOM 1007 C GLY A 70 -5.569 -7.642 10.270 1.00 0.00 C ATOM 1008 O GLY A 70 -5.153 -8.623 10.886 1.00 0.00 O ATOM 0 H GLY A 70 -4.877 -4.877 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.064 -6.189 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.786 -6.377 11.492 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.821 -7.661 8.965 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.620 -8.863 8.165 1.00 0.00 C ATOM 1014 C GLN A 71 -4.417 -9.656 8.666 1.00 0.00 C ATOM 1015 O GLN A 71 -3.395 -9.081 9.042 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.426 -8.496 6.693 1.00 0.00 C ATOM 1017 CG GLN A 71 -4.145 -7.724 6.422 1.00 0.00 C ATOM 1018 CD GLN A 71 -2.978 -8.630 6.085 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -1.891 -8.498 6.649 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -3.196 -9.559 5.162 1.00 0.00 N ATOM 0 H GLN A 71 -6.165 -6.857 8.439 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.509 -9.486 8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.423 -9.409 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.276 -7.901 6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.311 -7.030 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.894 -7.125 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.112 -9.633 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.447 -10.198 4.895 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.546 -10.978 8.669 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.470 -11.849 9.127 1.00 0.00 C ATOM 1031 C TYR A 72 -2.493 -12.150 7.994 1.00 0.00 C ATOM 1032 O TYR A 72 -2.853 -12.780 6.999 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.044 -13.154 9.681 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.225 -13.746 10.806 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.225 -13.168 12.069 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.451 -14.883 10.605 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.478 -13.705 13.100 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.703 -15.427 11.630 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.719 -14.835 12.876 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.973 -15.374 13.899 1.00 0.00 O ATOM 0 H TYR A 72 -5.384 -11.470 8.360 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.930 -11.332 9.920 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.058 -12.973 10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.115 -13.882 8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.819 -12.284 12.248 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.435 -15.349 9.631 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.488 -13.243 14.076 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.108 -16.312 11.457 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.498 -16.168 13.575 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.255 -11.695 8.154 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.224 -11.915 7.145 1.00 0.00 C ATOM 1052 C LEU A 73 0.738 -13.015 7.582 1.00 0.00 C ATOM 1053 O LEU A 73 0.636 -13.539 8.692 1.00 0.00 O ATOM 1054 CB LEU A 73 0.548 -10.620 6.886 1.00 0.00 C ATOM 1055 CG LEU A 73 1.302 -10.543 5.558 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.444 -11.081 4.425 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.731 -9.111 5.271 1.00 0.00 C ATOM 0 H LEU A 73 -0.941 -11.172 8.972 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.713 -12.230 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.153 -9.787 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.264 -10.479 7.696 1.00 0.00 H new ATOM 0 HG LEU A 73 2.196 -11.161 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.997 -11.018 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.187 -12.121 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.469 -10.490 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.266 -9.075 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.850 -8.471 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.384 -8.760 6.070 1.00 0.00 H new ATOM 1069 N CYS A 74 1.673 -13.360 6.703 1.00 0.00 N ATOM 1070 CA CYS A 74 2.655 -14.397 6.998 1.00 0.00 C ATOM 1071 C CYS A 74 2.942 -14.464 8.494 1.00 0.00 C ATOM 1072 O CYS A 74 3.817 -13.762 9.000 1.00 0.00 O ATOM 1073 CB CYS A 74 3.950 -14.135 6.229 1.00 0.00 C ATOM 1074 SG CYS A 74 3.905 -14.672 4.502 1.00 0.00 S ATOM 0 H CYS A 74 1.771 -12.937 5.780 1.00 0.00 H new ATOM 0 HA CYS A 74 2.241 -15.355 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.169 -13.068 6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.770 -14.644 6.735 1.00 0.00 H new ATOM 0 HG CYS A 74 5.044 -14.406 3.935 1.00 0.00 H new ATOM 1080 N ASN A 75 2.198 -15.311 9.197 1.00 0.00 N ATOM 1081 CA ASN A 75 2.371 -15.468 10.637 1.00 0.00 C ATOM 1082 C ASN A 75 2.717 -14.134 11.292 1.00 0.00 C ATOM 1083 O ASN A 75 3.654 -14.044 12.084 1.00 0.00 O ATOM 1084 CB ASN A 75 3.469 -16.493 10.931 1.00 0.00 C ATOM 1085 CG ASN A 75 3.134 -17.869 10.390 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.999 -17.971 9.073 1.00 0.00 O flip ATOM 1087 ND2 ASN A 75 3.000 -18.830 11.148 1.00 0.00 N flip ATOM 0 H ASN A 75 1.469 -15.900 8.793 1.00 0.00 H new ATOM 0 HA ASN A 75 1.429 -15.824 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.407 -16.152 10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.624 -16.557 12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.113 -18.706 12.154 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.776 -19.751 10.770 1.00 0.00 H new ATOM 1094 N ARG A 76 1.952 -13.100 10.955 1.00 0.00 N ATOM 1095 CA ARG A 76 2.177 -11.771 11.510 1.00 0.00 C ATOM 1096 C ARG A 76 1.048 -10.821 11.121 1.00 0.00 C ATOM 1097 O ARG A 76 0.947 -10.370 9.980 1.00 0.00 O ATOM 1098 CB ARG A 76 3.517 -11.213 11.024 1.00 0.00 C ATOM 1099 CG ARG A 76 4.711 -11.718 11.817 1.00 0.00 C ATOM 1100 CD ARG A 76 5.803 -10.664 11.912 1.00 0.00 C ATOM 1101 NE ARG A 76 6.574 -10.784 13.146 1.00 0.00 N ATOM 1102 CZ ARG A 76 6.202 -10.242 14.301 1.00 0.00 C ATOM 1103 NH1 ARG A 76 5.076 -9.547 14.378 1.00 0.00 N ATOM 1104 NH2 ARG A 76 6.957 -10.395 15.381 1.00 0.00 N ATOM 0 H ARG A 76 1.172 -13.158 10.301 1.00 0.00 H new ATOM 0 HA ARG A 76 2.198 -11.857 12.596 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.651 -11.476 9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.489 -10.125 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.390 -12.002 12.819 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.110 -12.615 11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.472 -10.757 11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.355 -9.672 11.860 1.00 0.00 H new ATOM 0 HE ARG A 76 7.446 -11.313 13.120 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.493 -9.427 13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.793 -9.132 15.266 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.824 -10.929 15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.670 -9.978 16.267 1.00 0.00 H new ATOM 1118 N PRO A 77 0.176 -10.510 12.092 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.962 -9.612 11.876 1.00 0.00 C ATOM 1120 C PRO A 77 -0.527 -8.165 11.668 1.00 0.00 C ATOM 1121 O PRO A 77 0.097 -7.563 12.543 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.771 -9.747 13.169 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.776 -10.162 14.197 1.00 0.00 C ATOM 1124 CD PRO A 77 0.235 -11.011 13.476 1.00 0.00 C ATOM 0 HA PRO A 77 -1.522 -9.872 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.248 -8.804 13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.564 -10.487 13.064 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.302 -9.294 14.654 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.255 -10.723 15.000 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.232 -10.898 13.902 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.017 -12.070 13.531 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.861 -7.613 10.507 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.506 -6.236 10.186 1.00 0.00 C ATOM 1134 C ILE A 78 -1.634 -5.278 10.551 1.00 0.00 C ATOM 1135 O ILE A 78 -2.740 -5.703 10.889 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.174 -6.074 8.691 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.460 -5.969 7.869 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.676 -7.240 8.208 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.220 -5.897 6.377 1.00 0.00 C ATOM 0 H ILE A 78 -1.377 -8.098 9.773 1.00 0.00 H new ATOM 0 HA ILE A 78 0.379 -5.993 10.775 1.00 0.00 H new ATOM 0 HB ILE A 78 0.396 -5.154 8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.092 -6.831 8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.011 -5.083 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.902 -7.111 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.605 -7.273 8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.130 -8.172 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.176 -5.824 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.615 -5.020 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.696 -6.795 6.049 1.00 0.00 H new ATOM 1151 N THR A 79 -1.349 -3.982 10.480 1.00 0.00 N ATOM 1152 CA THR A 79 -2.339 -2.962 10.803 1.00 0.00 C ATOM 1153 C THR A 79 -2.284 -1.808 9.809 1.00 0.00 C ATOM 1154 O THR A 79 -1.270 -1.118 9.699 1.00 0.00 O ATOM 1155 CB THR A 79 -2.134 -2.410 12.226 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.770 -2.011 12.405 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.504 -3.453 13.270 1.00 0.00 C ATOM 0 H THR A 79 -0.440 -3.613 10.201 1.00 0.00 H new ATOM 0 HA THR A 79 -3.316 -3.441 10.745 1.00 0.00 H new ATOM 0 HB THR A 79 -2.785 -1.545 12.354 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.402 -1.712 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.351 -3.040 14.267 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.551 -3.733 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.876 -4.335 13.142 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.380 -1.602 9.086 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.456 -0.529 8.102 1.00 0.00 C ATOM 1167 C VAL A 80 -4.190 0.682 8.665 1.00 0.00 C ATOM 1168 O VAL A 80 -5.303 0.564 9.179 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.168 -0.995 6.818 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.047 0.059 5.727 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.602 -2.327 6.348 1.00 0.00 C ATOM 0 H VAL A 80 -4.228 -2.164 9.163 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.431 -0.249 7.860 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.226 -1.134 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.556 -0.288 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.504 0.988 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.994 0.233 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.117 -2.641 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.537 -2.218 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.746 -3.078 7.125 1.00 0.00 H new ATOM 1181 N SER A 81 -3.560 1.849 8.565 1.00 0.00 N ATOM 1182 CA SER A 81 -4.152 3.083 9.068 1.00 0.00 C ATOM 1183 C SER A 81 -3.553 4.298 8.365 1.00 0.00 C ATOM 1184 O SER A 81 -2.359 4.330 8.067 1.00 0.00 O ATOM 1185 CB SER A 81 -3.939 3.197 10.579 1.00 0.00 C ATOM 1186 OG SER A 81 -4.998 2.580 11.291 1.00 0.00 O ATOM 0 H SER A 81 -2.640 1.965 8.140 1.00 0.00 H new ATOM 0 HA SER A 81 -5.222 3.055 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.992 2.731 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.870 4.247 10.862 1.00 0.00 H new ATOM 0 HG SER A 81 -5.340 1.820 10.775 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.392 5.295 8.105 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.947 6.511 7.435 1.00 0.00 C ATOM 1194 C TYR A 82 -2.722 7.099 8.129 1.00 0.00 C ATOM 1195 O TYR A 82 -2.662 7.163 9.357 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.076 7.544 7.407 1.00 0.00 C ATOM 1197 CG TYR A 82 -5.988 7.411 6.208 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.579 7.833 4.949 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.258 6.863 6.335 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.409 7.714 3.852 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.095 6.740 5.243 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.666 7.167 4.003 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.496 7.046 2.912 1.00 0.00 O ATOM 0 H TYR A 82 -5.383 5.285 8.348 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.673 6.253 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.669 7.447 8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.643 8.544 7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.595 8.261 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.597 6.527 7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.076 8.048 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.080 6.312 5.359 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.036 6.547 2.205 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.748 7.527 7.333 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.525 8.112 7.869 1.00 0.00 C ATOM 1215 C ALA A 83 -0.799 9.472 8.504 1.00 0.00 C ATOM 1216 O ALA A 83 -0.324 9.763 9.602 1.00 0.00 O ATOM 1217 CB ALA A 83 0.523 8.240 6.774 1.00 0.00 C ATOM 0 H ALA A 83 -1.782 7.480 6.315 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.144 7.448 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.431 8.678 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.749 7.253 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.142 8.880 5.978 1.00 0.00 H new