USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 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 28 LYS NZ :NH3+ -147:sc= -1.65 (180deg=-2.75!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.285 K(o=-4.9,f=-5.5) USER MOD Set 1.3: A 109 SER OG : rot 121:sc= -3.02! USER MOD Single : A 2 MET CE :methyl -108:sc= -10.9! (180deg=-14.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 37:sc= -3.29! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= -0.0307 (180deg=-0.871) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 100:sc= -1.26 USER MOD Single : A 26 HIS : no HE2:sc= -10.3! C(o=-10!,f=-9.5!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0161 (180deg=-0.338) USER MOD Single : A 32 MET CE :methyl 154:sc= -0.324 (180deg=-1.38!) USER MOD Single : A 36 LYS NZ :NH3+ -113:sc= -3.43! (180deg=-7.82!) USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0576 (180deg=-0.352) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 0.591 (180deg=-0.101) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc=-0.00119 (180deg=-0.321) USER MOD Single : A 45 LYS NZ :NH3+ -125:sc= 1.12 (180deg=-0.901) USER MOD Single : A 48 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.307 (180deg=-0.046) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= 0.515 (180deg=-2.36) USER MOD Single : A 71 SER OG : rot 113:sc= 0.156 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0378 (180deg=-0.228) USER MOD Single : A 82 THR OG1 : rot 63:sc= 0.763 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 86 MET CE :methyl 149:sc= -7.45! (180deg=-10.4!) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.0303 (180deg=-0.347) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.940 -8.359 6.702 1.00 0.00 N ATOM 15 CA MET A 2 5.761 -8.586 5.274 1.00 0.00 C ATOM 16 C MET A 2 7.109 -8.811 4.599 1.00 0.00 C ATOM 17 O MET A 2 7.361 -8.311 3.501 1.00 0.00 O ATOM 18 CB MET A 2 5.031 -7.398 4.642 1.00 0.00 C ATOM 19 CG MET A 2 4.609 -7.615 3.194 1.00 0.00 C ATOM 20 SD MET A 2 3.893 -9.247 2.898 1.00 0.00 S ATOM 21 CE MET A 2 2.779 -9.395 4.291 1.00 0.00 C ATOM 0 HA MET A 2 5.156 -9.481 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.145 -7.174 5.236 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.678 -6.522 4.692 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.883 -6.851 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.475 -7.483 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.177 -10.121 5.000 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.679 -8.427 4.781 1.00 0.00 H new ATOM 0 HE3 MET A 2 1.802 -9.728 3.941 1.00 0.00 H new ATOM 31 N THR A 3 7.972 -9.568 5.269 1.00 0.00 N ATOM 32 CA THR A 3 9.301 -9.868 4.752 1.00 0.00 C ATOM 33 C THR A 3 9.342 -11.240 4.091 1.00 0.00 C ATOM 34 O THR A 3 10.112 -11.467 3.156 1.00 0.00 O ATOM 35 CB THR A 3 10.357 -9.824 5.872 1.00 0.00 C ATOM 36 OG1 THR A 3 9.937 -10.638 6.974 1.00 0.00 O ATOM 37 CG2 THR A 3 10.587 -8.397 6.347 1.00 0.00 C ATOM 0 H THR A 3 7.772 -9.987 6.177 1.00 0.00 H new ATOM 0 HA THR A 3 9.530 -9.104 4.009 1.00 0.00 H new ATOM 0 HB THR A 3 11.294 -10.210 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.615 -10.606 7.681 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.337 -8.393 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.936 -7.788 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.653 -7.986 6.731 1.00 0.00 H new ATOM 45 N ASP A 4 8.512 -12.155 4.581 1.00 0.00 N ATOM 46 CA ASP A 4 8.459 -13.506 4.035 1.00 0.00 C ATOM 47 C ASP A 4 7.996 -13.498 2.579 1.00 0.00 C ATOM 48 O ASP A 4 8.218 -14.463 1.848 1.00 0.00 O ATOM 49 CB ASP A 4 7.526 -14.383 4.873 1.00 0.00 C ATOM 50 CG ASP A 4 7.401 -15.787 4.314 1.00 0.00 C ATOM 51 OD1 ASP A 4 6.586 -15.988 3.391 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.122 -16.684 4.798 1.00 0.00 O ATOM 0 H ASP A 4 7.868 -11.986 5.354 1.00 0.00 H new ATOM 0 HA ASP A 4 9.467 -13.919 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.899 -14.433 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.539 -13.922 4.916 1.00 0.00 H new ATOM 57 N LEU A 5 7.351 -12.410 2.162 1.00 0.00 N ATOM 58 CA LEU A 5 6.867 -12.298 0.791 1.00 0.00 C ATOM 59 C LEU A 5 7.507 -11.118 0.071 1.00 0.00 C ATOM 60 O LEU A 5 8.264 -11.296 -0.883 1.00 0.00 O ATOM 61 CB LEU A 5 5.346 -12.147 0.767 1.00 0.00 C ATOM 62 CG LEU A 5 4.574 -13.342 1.328 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.526 -13.287 2.846 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.171 -13.390 0.746 1.00 0.00 C ATOM 0 H LEU A 5 7.153 -11.600 2.750 1.00 0.00 H new ATOM 0 HA LEU A 5 7.146 -13.214 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.074 -11.258 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.028 -11.977 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 5 5.096 -14.254 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.972 -14.146 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.541 -13.306 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.030 -12.369 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.636 -14.247 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.639 -12.474 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.230 -13.484 -0.338 1.00 0.00 H new ATOM 76 N LEU A 6 7.198 -9.914 0.535 1.00 0.00 N ATOM 77 CA LEU A 6 7.738 -8.702 -0.066 1.00 0.00 C ATOM 78 C LEU A 6 9.196 -8.521 0.306 1.00 0.00 C ATOM 79 O LEU A 6 9.609 -8.847 1.418 1.00 0.00 O ATOM 80 CB LEU A 6 6.937 -7.483 0.395 1.00 0.00 C ATOM 81 CG LEU A 6 5.441 -7.539 0.081 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.797 -6.182 0.283 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.208 -8.015 -1.337 1.00 0.00 C ATOM 0 H LEU A 6 6.576 -9.751 1.326 1.00 0.00 H new ATOM 0 HA LEU A 6 7.662 -8.797 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.063 -7.369 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.358 -6.592 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 6 4.982 -8.249 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.733 -6.246 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.927 -5.868 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.267 -5.454 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.137 -8.047 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.688 -7.329 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.631 -9.012 -1.460 1.00 0.00 H new ATOM 95 N SER A 7 9.979 -7.993 -0.629 1.00 0.00 N ATOM 96 CA SER A 7 11.393 -7.765 -0.382 1.00 0.00 C ATOM 97 C SER A 7 11.569 -6.978 0.919 1.00 0.00 C ATOM 98 O SER A 7 11.235 -5.795 0.987 1.00 0.00 O ATOM 99 CB SER A 7 12.016 -7.004 -1.549 1.00 0.00 C ATOM 100 OG SER A 7 11.123 -6.028 -2.046 1.00 0.00 O ATOM 0 H SER A 7 9.659 -7.718 -1.557 1.00 0.00 H new ATOM 0 HA SER A 7 11.898 -8.726 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.941 -6.526 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.279 -7.701 -2.344 1.00 0.00 H new ATOM 0 HG SER A 7 10.625 -5.630 -1.301 1.00 0.00 H new ATOM 106 N ALA A 8 12.102 -7.639 1.943 1.00 0.00 N ATOM 107 CA ALA A 8 12.288 -7.010 3.248 1.00 0.00 C ATOM 108 C ALA A 8 13.234 -5.818 3.188 1.00 0.00 C ATOM 109 O ALA A 8 12.968 -4.777 3.788 1.00 0.00 O ATOM 110 CB ALA A 8 12.794 -8.032 4.254 1.00 0.00 C ATOM 0 H ALA A 8 12.413 -8.609 1.895 1.00 0.00 H new ATOM 0 HA ALA A 8 11.316 -6.634 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.929 -7.552 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.069 -8.841 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.747 -8.437 3.913 1.00 0.00 H new ATOM 116 N GLU A 9 14.336 -5.972 2.470 1.00 0.00 N ATOM 117 CA GLU A 9 15.314 -4.901 2.349 1.00 0.00 C ATOM 118 C GLU A 9 14.795 -3.785 1.440 1.00 0.00 C ATOM 119 O GLU A 9 14.799 -2.613 1.816 1.00 0.00 O ATOM 120 CB GLU A 9 16.635 -5.476 1.811 1.00 0.00 C ATOM 121 CG GLU A 9 17.539 -4.458 1.126 1.00 0.00 C ATOM 122 CD GLU A 9 18.816 -5.076 0.596 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.777 -5.665 -0.506 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.855 -4.972 1.280 1.00 0.00 O ATOM 0 H GLU A 9 14.575 -6.825 1.964 1.00 0.00 H new ATOM 0 HA GLU A 9 15.488 -4.466 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.182 -5.929 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.407 -6.274 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.997 -3.992 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.789 -3.666 1.832 1.00 0.00 H new ATOM 131 N ASP A 10 14.318 -4.169 0.264 1.00 0.00 N ATOM 132 CA ASP A 10 13.814 -3.209 -0.709 1.00 0.00 C ATOM 133 C ASP A 10 12.820 -2.245 -0.064 1.00 0.00 C ATOM 134 O ASP A 10 12.898 -1.033 -0.260 1.00 0.00 O ATOM 135 CB ASP A 10 13.156 -3.956 -1.865 1.00 0.00 C ATOM 136 CG ASP A 10 13.128 -3.153 -3.148 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.161 -2.536 -3.484 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.077 -3.148 -3.822 1.00 0.00 O ATOM 0 H ASP A 10 14.269 -5.141 -0.040 1.00 0.00 H new ATOM 0 HA ASP A 10 14.650 -2.621 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.691 -4.890 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.136 -4.220 -1.586 1.00 0.00 H new ATOM 143 N ILE A 11 11.888 -2.796 0.705 1.00 0.00 N ATOM 144 CA ILE A 11 10.890 -1.990 1.400 1.00 0.00 C ATOM 145 C ILE A 11 11.567 -0.962 2.293 1.00 0.00 C ATOM 146 O ILE A 11 11.198 0.208 2.290 1.00 0.00 O ATOM 147 CB ILE A 11 9.958 -2.881 2.253 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.230 -3.903 1.379 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.951 -2.043 3.026 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.879 -5.178 2.113 1.00 0.00 C ATOM 0 H ILE A 11 11.802 -3.800 0.863 1.00 0.00 H new ATOM 0 HA ILE A 11 10.292 -1.476 0.647 1.00 0.00 H new ATOM 0 HB ILE A 11 10.582 -3.416 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.317 -3.453 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.855 -4.147 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.310 -2.698 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.480 -1.359 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.341 -1.471 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.365 -5.859 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.791 -5.650 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.228 -4.945 2.956 1.00 0.00 H new ATOM 162 N LYS A 12 12.579 -1.392 3.036 1.00 0.00 N ATOM 163 CA LYS A 12 13.290 -0.489 3.932 1.00 0.00 C ATOM 164 C LYS A 12 13.929 0.657 3.152 1.00 0.00 C ATOM 165 O LYS A 12 13.880 1.813 3.573 1.00 0.00 O ATOM 166 CB LYS A 12 14.369 -1.241 4.714 1.00 0.00 C ATOM 167 CG LYS A 12 13.825 -2.311 5.645 1.00 0.00 C ATOM 168 CD LYS A 12 14.949 -3.025 6.381 1.00 0.00 C ATOM 169 CE LYS A 12 14.412 -4.049 7.367 1.00 0.00 C ATOM 170 NZ LYS A 12 15.508 -4.764 8.076 1.00 0.00 N ATOM 0 H LYS A 12 12.924 -2.352 3.037 1.00 0.00 H new ATOM 0 HA LYS A 12 12.564 -0.078 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.058 -1.704 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.946 -0.524 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.145 -1.857 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.245 -3.035 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.600 -3.520 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.559 -2.294 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.773 -3.551 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.790 -4.771 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.100 -5.454 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.104 -5.260 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.087 -4.078 8.602 1.00 0.00 H new ATOM 184 N LYS A 13 14.528 0.325 2.012 1.00 0.00 N ATOM 185 CA LYS A 13 15.185 1.321 1.168 1.00 0.00 C ATOM 186 C LYS A 13 14.174 2.278 0.552 1.00 0.00 C ATOM 187 O LYS A 13 14.322 3.499 0.631 1.00 0.00 O ATOM 188 CB LYS A 13 15.948 0.628 0.040 1.00 0.00 C ATOM 189 CG LYS A 13 17.033 -0.326 0.511 1.00 0.00 C ATOM 190 CD LYS A 13 16.980 -1.661 -0.226 1.00 0.00 C ATOM 191 CE LYS A 13 16.807 -1.492 -1.731 1.00 0.00 C ATOM 192 NZ LYS A 13 17.734 -0.468 -2.287 1.00 0.00 N ATOM 0 H LYS A 13 14.573 -0.628 1.650 1.00 0.00 H new ATOM 0 HA LYS A 13 15.871 1.886 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.239 0.076 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.401 1.388 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.010 0.133 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.924 -0.498 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.897 -2.217 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.155 -2.256 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.983 -2.447 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.778 -1.205 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.050 -0.763 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.241 0.445 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.559 -0.370 -1.661 1.00 0.00 H new ATOM 206 N ALA A 14 13.144 1.707 -0.057 1.00 0.00 N ATOM 207 CA ALA A 14 12.106 2.492 -0.708 1.00 0.00 C ATOM 208 C ALA A 14 11.287 3.280 0.302 1.00 0.00 C ATOM 209 O ALA A 14 10.884 4.413 0.041 1.00 0.00 O ATOM 210 CB ALA A 14 11.202 1.579 -1.520 1.00 0.00 C ATOM 0 H ALA A 14 13.005 0.698 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 14 12.590 3.208 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.427 2.172 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.792 1.063 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.738 0.846 -0.860 1.00 0.00 H new ATOM 216 N ILE A 15 11.046 2.677 1.458 1.00 0.00 N ATOM 217 CA ILE A 15 10.267 3.321 2.496 1.00 0.00 C ATOM 218 C ILE A 15 11.012 4.523 3.069 1.00 0.00 C ATOM 219 O ILE A 15 10.412 5.549 3.384 1.00 0.00 O ATOM 220 CB ILE A 15 9.868 2.313 3.584 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.734 1.501 2.990 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.441 2.988 4.885 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.961 0.671 3.974 1.00 0.00 C ATOM 0 H ILE A 15 11.380 1.743 1.697 1.00 0.00 H new ATOM 0 HA ILE A 15 9.345 3.698 2.054 1.00 0.00 H new ATOM 0 HB ILE A 15 10.719 1.689 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.044 2.181 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.142 0.842 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.170 2.228 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.265 3.587 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.582 3.632 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.173 0.128 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.632 -0.039 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.516 1.321 4.728 1.00 0.00 H new ATOM 235 N GLY A 16 12.325 4.388 3.181 1.00 0.00 N ATOM 236 CA GLY A 16 13.141 5.468 3.707 1.00 0.00 C ATOM 237 C GLY A 16 13.710 6.370 2.621 1.00 0.00 C ATOM 238 O GLY A 16 14.344 7.381 2.923 1.00 0.00 O ATOM 0 H GLY A 16 12.843 3.550 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.542 6.068 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.962 5.046 4.287 1.00 0.00 H new ATOM 242 N ALA A 17 13.486 6.012 1.357 1.00 0.00 N ATOM 243 CA ALA A 17 13.992 6.801 0.236 1.00 0.00 C ATOM 244 C ALA A 17 13.095 7.999 -0.068 1.00 0.00 C ATOM 245 O ALA A 17 13.578 9.057 -0.473 1.00 0.00 O ATOM 246 CB ALA A 17 14.133 5.925 -1.000 1.00 0.00 C ATOM 0 H ALA A 17 12.959 5.182 1.085 1.00 0.00 H new ATOM 0 HA ALA A 17 14.971 7.187 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.511 6.524 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.829 5.112 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.160 5.511 -1.265 1.00 0.00 H new ATOM 252 N PHE A 18 11.790 7.832 0.126 1.00 0.00 N ATOM 253 CA PHE A 18 10.835 8.906 -0.143 1.00 0.00 C ATOM 254 C PHE A 18 10.243 9.455 1.149 1.00 0.00 C ATOM 255 O PHE A 18 9.091 9.176 1.480 1.00 0.00 O ATOM 256 CB PHE A 18 9.707 8.393 -1.029 1.00 0.00 C ATOM 257 CG PHE A 18 10.175 7.714 -2.283 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.310 8.145 -2.949 1.00 0.00 C ATOM 259 CD2 PHE A 18 9.473 6.638 -2.789 1.00 0.00 C ATOM 260 CE1 PHE A 18 11.734 7.511 -4.101 1.00 0.00 C ATOM 261 CE2 PHE A 18 9.887 5.998 -3.939 1.00 0.00 C ATOM 262 CZ PHE A 18 11.021 6.435 -4.596 1.00 0.00 C ATOM 0 H PHE A 18 11.369 6.968 0.467 1.00 0.00 H new ATOM 0 HA PHE A 18 11.372 9.708 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.098 7.694 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.063 9.229 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.869 8.985 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.587 6.292 -2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.620 7.855 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.327 5.159 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.350 5.936 -5.496 1.00 0.00 H new ATOM 272 N THR A 19 11.032 10.234 1.877 1.00 0.00 N ATOM 273 CA THR A 19 10.577 10.803 3.138 1.00 0.00 C ATOM 274 C THR A 19 9.956 12.194 2.979 1.00 0.00 C ATOM 275 O THR A 19 8.994 12.526 3.672 1.00 0.00 O ATOM 276 CB THR A 19 11.730 10.892 4.155 1.00 0.00 C ATOM 277 OG1 THR A 19 12.317 9.599 4.347 1.00 0.00 O ATOM 278 CG2 THR A 19 11.232 11.427 5.489 1.00 0.00 C ATOM 0 H THR A 19 11.986 10.485 1.617 1.00 0.00 H new ATOM 0 HA THR A 19 9.805 10.125 3.502 1.00 0.00 H new ATOM 0 HB THR A 19 12.480 11.577 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.050 9.665 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.063 11.481 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.811 12.422 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.465 10.761 5.885 1.00 0.00 H new ATOM 286 N ALA A 20 10.500 13.008 2.076 1.00 0.00 N ATOM 287 CA ALA A 20 10.007 14.376 1.903 1.00 0.00 C ATOM 288 C ALA A 20 8.991 14.557 0.772 1.00 0.00 C ATOM 289 O ALA A 20 7.852 14.951 1.020 1.00 0.00 O ATOM 290 CB ALA A 20 11.180 15.320 1.694 1.00 0.00 C ATOM 0 H ALA A 20 11.271 12.751 1.460 1.00 0.00 H new ATOM 0 HA ALA A 20 9.469 14.612 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.810 16.337 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.838 15.280 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.734 15.020 0.804 1.00 0.00 H new ATOM 296 N ALA A 21 9.391 14.273 -0.466 1.00 0.00 N ATOM 297 CA ALA A 21 8.495 14.485 -1.606 1.00 0.00 C ATOM 298 C ALA A 21 7.738 13.233 -2.029 1.00 0.00 C ATOM 299 O ALA A 21 6.522 13.148 -1.869 1.00 0.00 O ATOM 300 CB ALA A 21 9.283 15.036 -2.784 1.00 0.00 C ATOM 0 H ALA A 21 10.311 13.903 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 21 7.743 15.203 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.613 15.192 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.740 15.985 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.062 14.327 -3.065 1.00 0.00 H new ATOM 306 N ASP A 22 8.458 12.260 -2.555 1.00 0.00 N ATOM 307 CA ASP A 22 7.840 11.024 -3.021 1.00 0.00 C ATOM 308 C ASP A 22 7.048 10.335 -1.913 1.00 0.00 C ATOM 309 O ASP A 22 6.209 9.476 -2.183 1.00 0.00 O ATOM 310 CB ASP A 22 8.902 10.082 -3.590 1.00 0.00 C ATOM 311 CG ASP A 22 9.414 10.541 -4.942 1.00 0.00 C ATOM 312 OD1 ASP A 22 8.727 10.284 -5.954 1.00 0.00 O ATOM 313 OD2 ASP A 22 10.499 11.156 -4.988 1.00 0.00 O ATOM 0 H ASP A 22 9.471 12.297 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 22 7.136 11.282 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.736 10.015 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.483 9.080 -3.684 1.00 0.00 H new ATOM 318 N SER A 23 7.316 10.713 -0.666 1.00 0.00 N ATOM 319 CA SER A 23 6.622 10.131 0.476 1.00 0.00 C ATOM 320 C SER A 23 5.115 10.046 0.237 1.00 0.00 C ATOM 321 O SER A 23 4.439 9.198 0.820 1.00 0.00 O ATOM 322 CB SER A 23 6.901 10.954 1.735 1.00 0.00 C ATOM 323 OG SER A 23 6.287 10.370 2.871 1.00 0.00 O ATOM 0 H SER A 23 8.009 11.420 -0.422 1.00 0.00 H new ATOM 0 HA SER A 23 6.999 9.117 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.977 11.026 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.530 11.970 1.599 1.00 0.00 H new ATOM 0 HG SER A 23 6.954 9.862 3.378 1.00 0.00 H new ATOM 329 N PHE A 24 4.586 10.921 -0.618 1.00 0.00 N ATOM 330 CA PHE A 24 3.155 10.913 -0.901 1.00 0.00 C ATOM 331 C PHE A 24 2.805 9.896 -1.989 1.00 0.00 C ATOM 332 O PHE A 24 1.875 9.108 -1.832 1.00 0.00 O ATOM 333 CB PHE A 24 2.658 12.314 -1.288 1.00 0.00 C ATOM 334 CG PHE A 24 2.966 12.722 -2.702 1.00 0.00 C ATOM 335 CD1 PHE A 24 2.227 12.221 -3.759 1.00 0.00 C ATOM 336 CD2 PHE A 24 3.988 13.619 -2.969 1.00 0.00 C ATOM 337 CE1 PHE A 24 2.503 12.600 -5.059 1.00 0.00 C ATOM 338 CE2 PHE A 24 4.271 14.002 -4.267 1.00 0.00 C ATOM 339 CZ PHE A 24 3.528 13.493 -5.312 1.00 0.00 C ATOM 0 H PHE A 24 5.118 11.633 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 24 2.645 10.612 0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.579 12.356 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.102 13.042 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.424 11.525 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.570 14.023 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.920 12.200 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.073 14.699 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.747 13.792 -6.327 1.00 0.00 H new ATOM 349 N ASP A 25 3.558 9.906 -3.085 1.00 0.00 N ATOM 350 CA ASP A 25 3.309 8.978 -4.187 1.00 0.00 C ATOM 351 C ASP A 25 3.868 7.598 -3.873 1.00 0.00 C ATOM 352 O ASP A 25 4.996 7.278 -4.247 1.00 0.00 O ATOM 353 CB ASP A 25 3.924 9.514 -5.482 1.00 0.00 C ATOM 354 CG ASP A 25 5.349 9.997 -5.294 1.00 0.00 C ATOM 355 OD1 ASP A 25 6.251 9.145 -5.147 1.00 0.00 O ATOM 356 OD2 ASP A 25 5.561 11.227 -5.297 1.00 0.00 O ATOM 0 H ASP A 25 4.341 10.542 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 25 2.231 8.888 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.907 8.731 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.313 10.334 -5.858 1.00 0.00 H new ATOM 361 N HIS A 26 3.077 6.777 -3.182 1.00 0.00 N ATOM 362 CA HIS A 26 3.524 5.438 -2.822 1.00 0.00 C ATOM 363 C HIS A 26 3.598 4.522 -4.048 1.00 0.00 C ATOM 364 O HIS A 26 4.174 3.442 -3.976 1.00 0.00 O ATOM 365 CB HIS A 26 2.635 4.824 -1.722 1.00 0.00 C ATOM 366 CG HIS A 26 1.443 4.065 -2.220 1.00 0.00 C ATOM 367 ND1 HIS A 26 1.543 2.947 -3.022 1.00 0.00 N ATOM 368 CD2 HIS A 26 0.120 4.261 -2.015 1.00 0.00 C ATOM 369 CE1 HIS A 26 0.335 2.491 -3.291 1.00 0.00 C ATOM 370 NE2 HIS A 26 -0.547 3.270 -2.691 1.00 0.00 N ATOM 0 H HIS A 26 2.137 7.014 -2.865 1.00 0.00 H new ATOM 0 HA HIS A 26 4.532 5.531 -2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.245 4.155 -1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.290 5.624 -1.067 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.415 2.537 -3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.328 5.050 -1.429 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.106 1.628 -3.898 1.00 0.00 H new ATOM 379 N LYS A 27 2.993 4.937 -5.161 1.00 0.00 N ATOM 380 CA LYS A 27 3.022 4.140 -6.377 1.00 0.00 C ATOM 381 C LYS A 27 4.444 3.875 -6.796 1.00 0.00 C ATOM 382 O LYS A 27 4.871 2.729 -6.937 1.00 0.00 O ATOM 383 CB LYS A 27 2.301 4.835 -7.511 1.00 0.00 C ATOM 384 CG LYS A 27 1.117 4.028 -7.985 1.00 0.00 C ATOM 385 CD LYS A 27 -0.051 4.899 -8.351 1.00 0.00 C ATOM 386 CE LYS A 27 0.044 5.374 -9.791 1.00 0.00 C ATOM 387 NZ LYS A 27 1.018 6.489 -9.947 1.00 0.00 N ATOM 0 H LYS A 27 2.481 5.816 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 27 2.516 3.199 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.965 5.819 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.991 4.994 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.408 3.431 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.817 3.331 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.979 4.345 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.089 5.760 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.341 4.541 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.939 5.701 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.862 6.961 -10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.887 7.175 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.986 6.111 -9.913 1.00 0.00 H new ATOM 401 N LYS A 28 5.175 4.961 -6.988 1.00 0.00 N ATOM 402 CA LYS A 28 6.579 4.873 -7.377 1.00 0.00 C ATOM 403 C LYS A 28 7.294 4.020 -6.352 1.00 0.00 C ATOM 404 O LYS A 28 8.174 3.220 -6.677 1.00 0.00 O ATOM 405 CB LYS A 28 7.204 6.265 -7.413 1.00 0.00 C ATOM 406 CG LYS A 28 6.481 7.238 -8.331 1.00 0.00 C ATOM 407 CD LYS A 28 7.336 7.636 -9.527 1.00 0.00 C ATOM 408 CE LYS A 28 7.546 6.474 -10.488 1.00 0.00 C ATOM 409 NZ LYS A 28 8.613 5.544 -10.026 1.00 0.00 N ATOM 0 H LYS A 28 4.824 5.913 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 28 6.665 4.432 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.216 6.674 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.242 6.179 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.554 6.784 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.206 8.130 -7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.859 8.462 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.303 7.997 -9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.611 5.924 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.807 6.862 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.107 5.145 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.292 6.062 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.186 4.774 -9.472 1.00 0.00 H new ATOM 423 N PHE A 29 6.894 4.207 -5.106 1.00 0.00 N ATOM 424 CA PHE A 29 7.421 3.420 -4.014 1.00 0.00 C ATOM 425 C PHE A 29 7.032 1.968 -4.233 1.00 0.00 C ATOM 426 O PHE A 29 7.804 1.062 -3.941 1.00 0.00 O ATOM 427 CB PHE A 29 6.884 3.937 -2.677 1.00 0.00 C ATOM 428 CG PHE A 29 7.010 2.956 -1.548 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.237 2.709 -0.963 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.898 2.271 -1.087 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.354 1.797 0.065 1.00 0.00 C ATOM 432 CE2 PHE A 29 6.011 1.355 -0.062 1.00 0.00 C ATOM 433 CZ PHE A 29 7.239 1.117 0.515 1.00 0.00 C ATOM 0 H PHE A 29 6.201 4.903 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 29 8.507 3.502 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.416 4.850 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.834 4.204 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.113 3.235 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.933 2.456 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.317 1.615 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.138 0.825 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.330 0.400 1.318 1.00 0.00 H new ATOM 443 N PHE A 30 5.822 1.754 -4.754 1.00 0.00 N ATOM 444 CA PHE A 30 5.346 0.408 -5.034 1.00 0.00 C ATOM 445 C PHE A 30 6.371 -0.335 -5.872 1.00 0.00 C ATOM 446 O PHE A 30 6.473 -1.560 -5.817 1.00 0.00 O ATOM 447 CB PHE A 30 4.017 0.433 -5.786 1.00 0.00 C ATOM 448 CG PHE A 30 3.191 -0.796 -5.526 1.00 0.00 C ATOM 449 CD1 PHE A 30 3.357 -1.908 -6.320 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.280 -0.855 -4.484 1.00 0.00 C ATOM 451 CE1 PHE A 30 2.634 -3.058 -6.092 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.553 -2.004 -4.245 1.00 0.00 C ATOM 453 CZ PHE A 30 1.732 -3.108 -5.051 1.00 0.00 C ATOM 0 H PHE A 30 5.161 2.495 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 30 5.198 -0.098 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.452 1.317 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.209 0.520 -6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.065 -1.878 -7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.137 0.008 -3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.774 -3.920 -6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.846 -2.038 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.167 -4.010 -4.867 1.00 0.00 H new ATOM 463 N GLN A 31 7.138 0.427 -6.639 1.00 0.00 N ATOM 464 CA GLN A 31 8.153 -0.134 -7.506 1.00 0.00 C ATOM 465 C GLN A 31 9.459 -0.381 -6.752 1.00 0.00 C ATOM 466 O GLN A 31 9.986 -1.493 -6.753 1.00 0.00 O ATOM 467 CB GLN A 31 8.378 0.805 -8.685 1.00 0.00 C ATOM 468 CG GLN A 31 7.085 1.312 -9.296 1.00 0.00 C ATOM 469 CD GLN A 31 7.323 2.323 -10.401 1.00 0.00 C ATOM 470 OE1 GLN A 31 8.354 2.291 -11.072 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.369 3.226 -10.598 1.00 0.00 N ATOM 0 H GLN A 31 7.072 1.444 -6.675 1.00 0.00 H new ATOM 0 HA GLN A 31 7.807 -1.101 -7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.976 1.655 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.956 0.286 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.520 0.469 -9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.473 1.767 -8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.530 3.216 -10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.476 3.929 -11.329 1.00 0.00 H new ATOM 480 N MET A 32 9.976 0.663 -6.104 1.00 0.00 N ATOM 481 CA MET A 32 11.226 0.554 -5.353 1.00 0.00 C ATOM 482 C MET A 32 11.056 -0.263 -4.075 1.00 0.00 C ATOM 483 O MET A 32 12.033 -0.752 -3.513 1.00 0.00 O ATOM 484 CB MET A 32 11.766 1.940 -5.006 1.00 0.00 C ATOM 485 CG MET A 32 12.387 2.664 -6.187 1.00 0.00 C ATOM 486 SD MET A 32 13.252 4.172 -5.704 1.00 0.00 S ATOM 487 CE MET A 32 14.422 3.533 -4.506 1.00 0.00 C ATOM 0 H MET A 32 9.551 1.590 -6.084 1.00 0.00 H new ATOM 0 HA MET A 32 11.939 0.035 -5.994 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.954 2.547 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.512 1.843 -4.217 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.085 1.996 -6.691 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.607 2.912 -6.907 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.292 4.188 -4.462 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.950 3.489 -3.524 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.736 2.532 -4.802 1.00 0.00 H new ATOM 497 N VAL A 33 9.821 -0.390 -3.606 1.00 0.00 N ATOM 498 CA VAL A 33 9.536 -1.153 -2.393 1.00 0.00 C ATOM 499 C VAL A 33 9.639 -2.649 -2.650 1.00 0.00 C ATOM 500 O VAL A 33 9.884 -3.436 -1.736 1.00 0.00 O ATOM 501 CB VAL A 33 8.125 -0.848 -1.861 1.00 0.00 C ATOM 502 CG1 VAL A 33 7.079 -1.267 -2.865 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.879 -1.552 -0.545 1.00 0.00 C ATOM 0 H VAL A 33 8.999 0.025 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 33 10.278 -0.855 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 33 8.055 0.228 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.087 -1.044 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.231 -0.723 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.163 -2.338 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.875 -1.320 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.975 -2.629 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.610 -1.215 0.190 1.00 0.00 H new ATOM 513 N GLY A 34 9.450 -3.027 -3.904 1.00 0.00 N ATOM 514 CA GLY A 34 9.515 -4.424 -4.277 1.00 0.00 C ATOM 515 C GLY A 34 8.189 -5.133 -4.092 1.00 0.00 C ATOM 516 O GLY A 34 8.147 -6.352 -3.929 1.00 0.00 O ATOM 0 H GLY A 34 9.252 -2.388 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.825 -4.505 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.277 -4.922 -3.678 1.00 0.00 H new ATOM 520 N LEU A 35 7.099 -4.369 -4.119 1.00 0.00 N ATOM 521 CA LEU A 35 5.767 -4.940 -3.963 1.00 0.00 C ATOM 522 C LEU A 35 5.376 -5.662 -5.242 1.00 0.00 C ATOM 523 O LEU A 35 4.650 -6.655 -5.212 1.00 0.00 O ATOM 524 CB LEU A 35 4.743 -3.862 -3.597 1.00 0.00 C ATOM 525 CG LEU A 35 4.289 -3.888 -2.129 1.00 0.00 C ATOM 526 CD1 LEU A 35 5.055 -2.875 -1.297 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.794 -3.637 -2.021 1.00 0.00 C ATOM 0 H LEU A 35 7.113 -3.357 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 35 5.781 -5.658 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.171 -2.883 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.868 -3.977 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 35 4.504 -4.882 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.711 -2.918 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.120 -3.104 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.885 -1.874 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.496 -3.660 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.557 -2.661 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.255 -4.410 -2.569 1.00 0.00 H new ATOM 539 N LYS A 36 5.867 -5.158 -6.373 1.00 0.00 N ATOM 540 CA LYS A 36 5.607 -5.787 -7.652 1.00 0.00 C ATOM 541 C LYS A 36 6.542 -6.990 -7.835 1.00 0.00 C ATOM 542 O LYS A 36 6.389 -7.765 -8.779 1.00 0.00 O ATOM 543 CB LYS A 36 5.810 -4.793 -8.798 1.00 0.00 C ATOM 544 CG LYS A 36 4.891 -3.582 -8.747 1.00 0.00 C ATOM 545 CD LYS A 36 5.679 -2.272 -8.839 1.00 0.00 C ATOM 546 CE LYS A 36 6.721 -2.330 -9.949 1.00 0.00 C ATOM 547 NZ LYS A 36 8.083 -2.640 -9.435 1.00 0.00 N ATOM 0 H LYS A 36 6.444 -4.319 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 36 4.571 -6.124 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.845 -4.450 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.656 -5.311 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.174 -3.634 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.318 -3.598 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.993 -1.445 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.170 -2.073 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.430 -3.087 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.743 -1.375 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.700 -1.813 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.027 -2.873 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.474 -3.451 -9.956 1.00 0.00 H new ATOM 561 N LYS A 37 7.517 -7.141 -6.921 1.00 0.00 N ATOM 562 CA LYS A 37 8.478 -8.240 -6.983 1.00 0.00 C ATOM 563 C LYS A 37 7.776 -9.565 -7.272 1.00 0.00 C ATOM 564 O LYS A 37 8.362 -10.474 -7.859 1.00 0.00 O ATOM 565 CB LYS A 37 9.293 -8.315 -5.676 1.00 0.00 C ATOM 566 CG LYS A 37 10.486 -9.256 -5.750 1.00 0.00 C ATOM 567 CD LYS A 37 10.116 -10.674 -5.349 1.00 0.00 C ATOM 568 CE LYS A 37 11.309 -11.608 -5.456 1.00 0.00 C ATOM 569 NZ LYS A 37 11.873 -11.633 -6.834 1.00 0.00 N ATOM 0 H LYS A 37 7.655 -6.510 -6.131 1.00 0.00 H new ATOM 0 HA LYS A 37 9.168 -8.048 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.646 -7.316 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.637 -8.638 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.884 -9.258 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.278 -8.889 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.739 -10.678 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.310 -11.036 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.081 -11.293 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.008 -12.615 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.507 -12.452 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.099 -11.707 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.408 -10.758 -7.006 1.00 0.00 H new ATOM 583 N LYS A 38 6.514 -9.658 -6.869 1.00 0.00 N ATOM 584 CA LYS A 38 5.723 -10.860 -7.103 1.00 0.00 C ATOM 585 C LYS A 38 4.276 -10.500 -7.417 1.00 0.00 C ATOM 586 O LYS A 38 3.914 -9.325 -7.453 1.00 0.00 O ATOM 587 CB LYS A 38 5.781 -11.792 -5.894 1.00 0.00 C ATOM 588 CG LYS A 38 6.920 -12.796 -5.964 1.00 0.00 C ATOM 589 CD LYS A 38 6.812 -13.840 -4.866 1.00 0.00 C ATOM 590 CE LYS A 38 7.063 -13.235 -3.497 1.00 0.00 C ATOM 591 NZ LYS A 38 7.030 -14.263 -2.423 1.00 0.00 N ATOM 0 H LYS A 38 6.017 -8.915 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 38 6.148 -11.379 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.887 -11.195 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.836 -12.330 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.913 -13.288 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.873 -12.273 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.821 -14.292 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.531 -14.638 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.032 -12.736 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.311 -12.473 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.636 -13.960 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.054 -14.380 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.377 -15.169 -2.799 1.00 0.00 H new ATOM 605 N SER A 39 3.452 -11.515 -7.645 1.00 0.00 N ATOM 606 CA SER A 39 2.046 -11.298 -7.957 1.00 0.00 C ATOM 607 C SER A 39 1.341 -10.567 -6.820 1.00 0.00 C ATOM 608 O SER A 39 1.792 -10.590 -5.675 1.00 0.00 O ATOM 609 CB SER A 39 1.353 -12.636 -8.225 1.00 0.00 C ATOM 610 OG SER A 39 1.981 -13.332 -9.289 1.00 0.00 O ATOM 0 H SER A 39 3.733 -12.495 -7.620 1.00 0.00 H new ATOM 0 HA SER A 39 1.989 -10.678 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.375 -13.248 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.304 -12.464 -8.468 1.00 0.00 H new ATOM 0 HG SER A 39 1.521 -14.184 -9.439 1.00 0.00 H new ATOM 616 N ALA A 40 0.229 -9.914 -7.147 1.00 0.00 N ATOM 617 CA ALA A 40 -0.549 -9.181 -6.160 1.00 0.00 C ATOM 618 C ALA A 40 -0.931 -10.074 -4.980 1.00 0.00 C ATOM 619 O ALA A 40 -1.253 -9.586 -3.899 1.00 0.00 O ATOM 620 CB ALA A 40 -1.794 -8.606 -6.814 1.00 0.00 C ATOM 0 H ALA A 40 -0.152 -9.879 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 40 0.064 -8.367 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.374 -8.058 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.503 -7.931 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.399 -9.417 -7.221 1.00 0.00 H new ATOM 626 N ASP A 41 -0.904 -11.386 -5.196 1.00 0.00 N ATOM 627 CA ASP A 41 -1.245 -12.337 -4.146 1.00 0.00 C ATOM 628 C ASP A 41 -0.276 -12.229 -2.971 1.00 0.00 C ATOM 629 O ASP A 41 -0.665 -12.407 -1.817 1.00 0.00 O ATOM 630 CB ASP A 41 -1.238 -13.764 -4.698 1.00 0.00 C ATOM 631 CG ASP A 41 -2.223 -13.948 -5.837 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.829 -13.733 -7.002 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.388 -14.304 -5.562 1.00 0.00 O ATOM 0 H ASP A 41 -0.650 -11.813 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.246 -12.097 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.235 -14.011 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.479 -14.462 -3.896 1.00 0.00 H new ATOM 638 N ASP A 42 0.987 -11.938 -3.269 1.00 0.00 N ATOM 639 CA ASP A 42 2.009 -11.809 -2.234 1.00 0.00 C ATOM 640 C ASP A 42 1.827 -10.516 -1.442 1.00 0.00 C ATOM 641 O ASP A 42 1.766 -10.534 -0.214 1.00 0.00 O ATOM 642 CB ASP A 42 3.404 -11.852 -2.859 1.00 0.00 C ATOM 643 CG ASP A 42 3.684 -13.172 -3.550 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.254 -13.339 -4.710 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.335 -14.040 -2.929 1.00 0.00 O ATOM 0 H ASP A 42 1.328 -11.787 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 42 1.902 -12.648 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.502 -11.039 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.152 -11.684 -2.084 1.00 0.00 H new ATOM 650 N VAL A 43 1.746 -9.396 -2.152 1.00 0.00 N ATOM 651 CA VAL A 43 1.555 -8.095 -1.514 1.00 0.00 C ATOM 652 C VAL A 43 0.285 -8.101 -0.668 1.00 0.00 C ATOM 653 O VAL A 43 0.255 -7.580 0.450 1.00 0.00 O ATOM 654 CB VAL A 43 1.458 -6.975 -2.571 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.772 -6.830 -3.329 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.318 -7.265 -3.531 1.00 0.00 C ATOM 0 H VAL A 43 1.809 -9.361 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 43 2.417 -7.905 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 43 1.258 -6.033 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.680 -6.035 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.571 -6.584 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.007 -7.768 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.257 -6.470 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.497 -8.216 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.619 -7.318 -2.977 1.00 0.00 H new ATOM 666 N LYS A 44 -0.752 -8.723 -1.212 1.00 0.00 N ATOM 667 CA LYS A 44 -2.044 -8.828 -0.548 1.00 0.00 C ATOM 668 C LYS A 44 -1.912 -9.390 0.865 1.00 0.00 C ATOM 669 O LYS A 44 -2.739 -9.103 1.730 1.00 0.00 O ATOM 670 CB LYS A 44 -3.005 -9.690 -1.370 1.00 0.00 C ATOM 671 CG LYS A 44 -3.722 -8.923 -2.471 1.00 0.00 C ATOM 672 CD LYS A 44 -4.691 -9.806 -3.233 1.00 0.00 C ATOM 673 CE LYS A 44 -4.999 -9.237 -4.609 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.995 -10.065 -5.344 1.00 0.00 N ATOM 0 H LYS A 44 -0.721 -9.170 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.450 -7.819 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.449 -10.515 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.747 -10.130 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.262 -8.082 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.988 -8.508 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.269 -10.806 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.616 -9.908 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.379 -8.221 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.079 -9.175 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.841 -9.965 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.885 -11.063 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.956 -9.746 -5.105 1.00 0.00 H new ATOM 688 N LYS A 45 -0.878 -10.191 1.107 1.00 0.00 N ATOM 689 CA LYS A 45 -0.714 -10.811 2.414 1.00 0.00 C ATOM 690 C LYS A 45 -0.666 -9.742 3.479 1.00 0.00 C ATOM 691 O LYS A 45 -1.353 -9.833 4.497 1.00 0.00 O ATOM 692 CB LYS A 45 0.547 -11.670 2.464 1.00 0.00 C ATOM 693 CG LYS A 45 0.299 -13.124 2.097 1.00 0.00 C ATOM 694 CD LYS A 45 -0.241 -13.253 0.682 1.00 0.00 C ATOM 695 CE LYS A 45 -0.568 -14.698 0.340 1.00 0.00 C ATOM 696 NZ LYS A 45 -1.135 -14.831 -1.030 1.00 0.00 N ATOM 0 H LYS A 45 -0.154 -10.422 0.427 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.567 -11.465 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.290 -11.253 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.971 -11.623 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.228 -13.687 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.409 -13.563 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.137 -12.641 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.493 -12.868 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.335 -15.303 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.279 -15.091 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.051 -15.321 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.269 -13.886 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.481 -15.379 -1.625 1.00 0.00 H new ATOM 710 N VAL A 46 0.132 -8.714 3.232 1.00 0.00 N ATOM 711 CA VAL A 46 0.237 -7.617 4.168 1.00 0.00 C ATOM 712 C VAL A 46 -1.147 -7.009 4.373 1.00 0.00 C ATOM 713 O VAL A 46 -1.454 -6.457 5.430 1.00 0.00 O ATOM 714 CB VAL A 46 1.250 -6.544 3.673 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.596 -5.476 2.799 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.961 -5.910 4.857 1.00 0.00 C ATOM 0 H VAL A 46 0.710 -8.621 2.397 1.00 0.00 H new ATOM 0 HA VAL A 46 0.614 -7.994 5.119 1.00 0.00 H new ATOM 0 HB VAL A 46 1.981 -7.055 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.349 -4.754 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.152 -5.946 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.180 -4.965 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.667 -5.161 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.228 -5.435 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.498 -6.678 5.413 1.00 0.00 H new ATOM 726 N PHE A 47 -1.974 -7.121 3.335 1.00 0.00 N ATOM 727 CA PHE A 47 -3.321 -6.595 3.379 1.00 0.00 C ATOM 728 C PHE A 47 -4.125 -7.268 4.474 1.00 0.00 C ATOM 729 O PHE A 47 -4.824 -6.606 5.221 1.00 0.00 O ATOM 730 CB PHE A 47 -4.017 -6.773 2.041 1.00 0.00 C ATOM 731 CG PHE A 47 -5.124 -5.788 1.816 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.835 -4.452 1.592 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.449 -6.190 1.834 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.845 -3.536 1.386 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.464 -5.276 1.628 1.00 0.00 C ATOM 736 CZ PHE A 47 -7.161 -3.948 1.404 1.00 0.00 C ATOM 0 H PHE A 47 -1.726 -7.574 2.455 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.255 -5.529 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.283 -6.674 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.421 -7.784 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.806 -4.124 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.691 -7.228 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.606 -2.497 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.494 -5.600 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.954 -3.232 1.243 1.00 0.00 H new ATOM 746 N HIS A 48 -4.025 -8.591 4.558 1.00 0.00 N ATOM 747 CA HIS A 48 -4.742 -9.348 5.580 1.00 0.00 C ATOM 748 C HIS A 48 -4.232 -8.950 6.952 1.00 0.00 C ATOM 749 O HIS A 48 -4.995 -8.848 7.913 1.00 0.00 O ATOM 750 CB HIS A 48 -4.561 -10.850 5.360 1.00 0.00 C ATOM 751 CG HIS A 48 -5.407 -11.697 6.261 1.00 0.00 C ATOM 752 ND1 HIS A 48 -6.582 -12.293 5.851 1.00 0.00 N ATOM 753 CD2 HIS A 48 -5.240 -12.053 7.556 1.00 0.00 C ATOM 754 CE1 HIS A 48 -7.101 -12.976 6.856 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.306 -12.848 7.903 1.00 0.00 N ATOM 0 H HIS A 48 -3.456 -9.161 3.932 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.806 -9.121 5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.799 -11.088 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.513 -11.107 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.421 -11.765 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.020 -13.543 6.826 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.458 -13.270 8.819 1.00 0.00 H new ATOM 764 N ILE A 49 -2.928 -8.726 7.028 1.00 0.00 N ATOM 765 CA ILE A 49 -2.295 -8.309 8.265 1.00 0.00 C ATOM 766 C ILE A 49 -2.957 -7.049 8.798 1.00 0.00 C ATOM 767 O ILE A 49 -3.316 -6.956 9.972 1.00 0.00 O ATOM 768 CB ILE A 49 -0.804 -7.989 8.039 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.086 -9.167 7.383 1.00 0.00 C ATOM 770 CG2 ILE A 49 -0.134 -7.618 9.351 1.00 0.00 C ATOM 771 CD1 ILE A 49 -0.255 -10.474 8.120 1.00 0.00 C ATOM 0 H ILE A 49 -2.287 -8.828 6.241 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.399 -9.129 8.975 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.739 -7.136 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.457 -9.285 6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.977 -8.937 7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.918 -7.395 9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.624 -6.741 9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.215 -8.451 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.284 -11.261 7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.143 -10.376 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.314 -10.729 8.170 1.00 0.00 H new ATOM 783 N LEU A 50 -3.111 -6.086 7.902 1.00 0.00 N ATOM 784 CA LEU A 50 -3.679 -4.792 8.227 1.00 0.00 C ATOM 785 C LEU A 50 -5.205 -4.744 8.080 1.00 0.00 C ATOM 786 O LEU A 50 -5.866 -3.919 8.712 1.00 0.00 O ATOM 787 CB LEU A 50 -3.013 -3.773 7.314 1.00 0.00 C ATOM 788 CG LEU A 50 -1.492 -3.919 7.234 1.00 0.00 C ATOM 789 CD1 LEU A 50 -0.955 -3.385 5.913 1.00 0.00 C ATOM 790 CD2 LEU A 50 -0.837 -3.216 8.412 1.00 0.00 C ATOM 0 H LEU A 50 -2.843 -6.184 6.923 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.490 -4.573 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.431 -3.868 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.255 -2.770 7.666 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.246 -4.980 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.128 -3.503 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.401 -3.940 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.208 -2.329 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.245 -3.326 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.096 -2.157 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.190 -3.660 9.343 1.00 0.00 H new ATOM 802 N ASP A 51 -5.765 -5.623 7.253 1.00 0.00 N ATOM 803 CA ASP A 51 -7.212 -5.659 7.036 1.00 0.00 C ATOM 804 C ASP A 51 -7.902 -6.623 7.994 1.00 0.00 C ATOM 805 O ASP A 51 -8.966 -7.161 7.691 1.00 0.00 O ATOM 806 CB ASP A 51 -7.536 -6.059 5.594 1.00 0.00 C ATOM 807 CG ASP A 51 -7.226 -4.958 4.600 1.00 0.00 C ATOM 808 OD1 ASP A 51 -6.030 -4.679 4.375 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.184 -4.376 4.047 1.00 0.00 O ATOM 0 H ASP A 51 -5.242 -6.319 6.722 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.587 -4.654 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.967 -6.951 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.591 -6.322 5.522 1.00 0.00 H new ATOM 814 N LYS A 52 -7.290 -6.839 9.151 1.00 0.00 N ATOM 815 CA LYS A 52 -7.845 -7.732 10.155 1.00 0.00 C ATOM 816 C LYS A 52 -9.198 -7.226 10.643 1.00 0.00 C ATOM 817 O LYS A 52 -10.131 -8.004 10.841 1.00 0.00 O ATOM 818 CB LYS A 52 -6.876 -7.838 11.324 1.00 0.00 C ATOM 819 CG LYS A 52 -6.699 -6.523 12.063 1.00 0.00 C ATOM 820 CD LYS A 52 -5.627 -6.612 13.136 1.00 0.00 C ATOM 821 CE LYS A 52 -6.033 -7.549 14.262 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.990 -7.619 15.324 1.00 0.00 N ATOM 0 H LYS A 52 -6.406 -6.405 9.416 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.992 -8.716 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.236 -8.595 12.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.907 -8.177 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.436 -5.740 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.646 -6.234 12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.695 -6.961 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.435 -5.619 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.973 -7.209 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.210 -8.546 13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.302 -8.267 16.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.100 -7.967 14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.839 -6.672 15.725 1.00 0.00 H new ATOM 836 N ASP A 53 -9.296 -5.914 10.838 1.00 0.00 N ATOM 837 CA ASP A 53 -10.534 -5.297 11.302 1.00 0.00 C ATOM 838 C ASP A 53 -11.242 -4.559 10.166 1.00 0.00 C ATOM 839 O ASP A 53 -12.438 -4.279 10.253 1.00 0.00 O ATOM 840 CB ASP A 53 -10.250 -4.331 12.456 1.00 0.00 C ATOM 841 CG ASP A 53 -9.610 -5.019 13.645 1.00 0.00 C ATOM 842 OD1 ASP A 53 -10.302 -5.818 14.311 1.00 0.00 O ATOM 843 OD2 ASP A 53 -8.419 -4.757 13.914 1.00 0.00 O ATOM 0 H ASP A 53 -8.532 -5.257 10.682 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.191 -6.092 11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.594 -3.534 12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.182 -3.862 12.770 1.00 0.00 H new ATOM 848 N LYS A 54 -10.501 -4.244 9.106 1.00 0.00 N ATOM 849 CA LYS A 54 -11.066 -3.541 7.959 1.00 0.00 C ATOM 850 C LYS A 54 -12.158 -4.367 7.276 1.00 0.00 C ATOM 851 O LYS A 54 -12.915 -3.847 6.459 1.00 0.00 O ATOM 852 CB LYS A 54 -9.973 -3.189 6.960 1.00 0.00 C ATOM 853 CG LYS A 54 -8.763 -2.526 7.596 1.00 0.00 C ATOM 854 CD LYS A 54 -9.153 -1.259 8.340 1.00 0.00 C ATOM 855 CE LYS A 54 -7.959 -0.636 9.044 1.00 0.00 C ATOM 856 NZ LYS A 54 -7.368 -1.557 10.053 1.00 0.00 N ATOM 0 H LYS A 54 -9.509 -4.465 9.018 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.522 -2.622 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.653 -4.097 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.385 -2.524 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.285 -3.222 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.030 -2.287 6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.579 -0.541 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.928 -1.489 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.201 -0.370 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.267 0.288 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.734 -1.023 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.128 -1.990 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.828 -2.303 9.569 1.00 0.00 H new ATOM 870 N SER A 55 -12.227 -5.656 7.608 1.00 0.00 N ATOM 871 CA SER A 55 -13.235 -6.545 7.038 1.00 0.00 C ATOM 872 C SER A 55 -12.975 -6.819 5.557 1.00 0.00 C ATOM 873 O SER A 55 -13.890 -7.177 4.816 1.00 0.00 O ATOM 874 CB SER A 55 -14.634 -5.953 7.224 1.00 0.00 C ATOM 875 OG SER A 55 -14.885 -5.656 8.587 1.00 0.00 O ATOM 0 H SER A 55 -11.595 -6.107 8.270 1.00 0.00 H new ATOM 0 HA SER A 55 -13.173 -7.495 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.731 -5.046 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.382 -6.657 6.858 1.00 0.00 H new ATOM 0 HG SER A 55 -15.784 -5.278 8.679 1.00 0.00 H new ATOM 881 N GLY A 56 -11.727 -6.652 5.132 1.00 0.00 N ATOM 882 CA GLY A 56 -11.379 -6.905 3.745 1.00 0.00 C ATOM 883 C GLY A 56 -11.255 -5.639 2.915 1.00 0.00 C ATOM 884 O GLY A 56 -10.743 -5.677 1.796 1.00 0.00 O ATOM 0 H GLY A 56 -10.952 -6.347 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.435 -7.449 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.136 -7.550 3.300 1.00 0.00 H new ATOM 888 N PHE A 57 -11.719 -4.516 3.455 1.00 0.00 N ATOM 889 CA PHE A 57 -11.639 -3.245 2.741 1.00 0.00 C ATOM 890 C PHE A 57 -11.380 -2.089 3.696 1.00 0.00 C ATOM 891 O PHE A 57 -12.030 -1.962 4.733 1.00 0.00 O ATOM 892 CB PHE A 57 -12.925 -2.969 1.955 1.00 0.00 C ATOM 893 CG PHE A 57 -13.166 -3.937 0.832 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.566 -5.238 1.094 1.00 0.00 C ATOM 895 CD2 PHE A 57 -12.992 -3.544 -0.484 1.00 0.00 C ATOM 896 CE1 PHE A 57 -13.788 -6.129 0.061 1.00 0.00 C ATOM 897 CE2 PHE A 57 -13.214 -4.431 -1.521 1.00 0.00 C ATOM 898 CZ PHE A 57 -13.611 -5.724 -1.248 1.00 0.00 C ATOM 0 H PHE A 57 -12.151 -4.459 4.377 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.804 -3.325 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.773 -3.002 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.882 -1.958 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.706 -5.559 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.679 -2.534 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.099 -7.140 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.077 -4.112 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.783 -6.419 -2.057 1.00 0.00 H new ATOM 908 N ILE A 58 -10.425 -1.249 3.329 1.00 0.00 N ATOM 909 CA ILE A 58 -10.087 -0.078 4.117 1.00 0.00 C ATOM 910 C ILE A 58 -10.660 1.142 3.440 1.00 0.00 C ATOM 911 O ILE A 58 -10.666 1.238 2.215 1.00 0.00 O ATOM 912 CB ILE A 58 -8.568 0.101 4.299 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.892 -1.249 4.536 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.293 1.044 5.459 1.00 0.00 C ATOM 915 CD1 ILE A 58 -7.135 -1.761 3.331 1.00 0.00 C ATOM 0 H ILE A 58 -9.867 -1.360 2.482 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.512 -0.213 5.112 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.155 0.533 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.204 -1.160 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.648 -1.981 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.217 1.166 5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.747 2.014 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.718 0.630 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.680 -2.723 3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.822 -1.882 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.356 -1.048 3.061 1.00 0.00 H new ATOM 927 N GLU A 59 -11.107 2.083 4.240 1.00 0.00 N ATOM 928 CA GLU A 59 -11.735 3.274 3.729 1.00 0.00 C ATOM 929 C GLU A 59 -10.762 4.433 3.716 1.00 0.00 C ATOM 930 O GLU A 59 -10.014 4.628 4.667 1.00 0.00 O ATOM 931 CB GLU A 59 -12.935 3.598 4.605 1.00 0.00 C ATOM 932 CG GLU A 59 -14.238 2.998 4.104 1.00 0.00 C ATOM 933 CD GLU A 59 -14.251 1.485 4.187 1.00 0.00 C ATOM 934 OE1 GLU A 59 -13.615 0.835 3.332 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.896 0.947 5.114 1.00 0.00 O ATOM 0 H GLU A 59 -11.045 2.043 5.257 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.058 3.105 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.744 3.237 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.045 4.681 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.067 3.398 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.401 3.303 3.070 1.00 0.00 H new ATOM 942 N GLU A 60 -10.796 5.199 2.632 1.00 0.00 N ATOM 943 CA GLU A 60 -9.895 6.340 2.429 1.00 0.00 C ATOM 944 C GLU A 60 -9.517 7.029 3.739 1.00 0.00 C ATOM 945 O GLU A 60 -8.368 7.433 3.927 1.00 0.00 O ATOM 946 CB GLU A 60 -10.548 7.347 1.487 1.00 0.00 C ATOM 947 CG GLU A 60 -12.028 7.506 1.741 1.00 0.00 C ATOM 948 CD GLU A 60 -12.516 8.923 1.514 1.00 0.00 C ATOM 949 OE1 GLU A 60 -12.475 9.726 2.469 1.00 0.00 O ATOM 950 OE2 GLU A 60 -12.941 9.230 0.381 1.00 0.00 O ATOM 0 H GLU A 60 -11.450 5.050 1.863 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.975 5.953 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.058 8.314 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.392 7.028 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.578 6.828 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.249 7.211 2.767 1.00 0.00 H new ATOM 957 N ASP A 61 -10.476 7.136 4.651 1.00 0.00 N ATOM 958 CA ASP A 61 -10.218 7.772 5.932 1.00 0.00 C ATOM 959 C ASP A 61 -9.293 6.908 6.791 1.00 0.00 C ATOM 960 O ASP A 61 -8.273 7.383 7.290 1.00 0.00 O ATOM 961 CB ASP A 61 -11.529 8.035 6.673 1.00 0.00 C ATOM 962 CG ASP A 61 -11.308 8.675 8.029 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.080 7.931 9.006 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.364 9.920 8.115 1.00 0.00 O ATOM 0 H ASP A 61 -11.429 6.794 4.527 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.724 8.725 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.162 8.683 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.066 7.095 6.801 1.00 0.00 H new ATOM 969 N GLU A 62 -9.658 5.638 6.961 1.00 0.00 N ATOM 970 CA GLU A 62 -8.847 4.702 7.741 1.00 0.00 C ATOM 971 C GLU A 62 -7.636 4.240 6.928 1.00 0.00 C ATOM 972 O GLU A 62 -6.661 3.710 7.472 1.00 0.00 O ATOM 973 CB GLU A 62 -9.683 3.491 8.161 1.00 0.00 C ATOM 974 CG GLU A 62 -10.939 3.857 8.934 1.00 0.00 C ATOM 975 CD GLU A 62 -10.635 4.578 10.232 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.443 3.896 11.260 1.00 0.00 O ATOM 977 OE2 GLU A 62 -10.587 5.827 10.220 1.00 0.00 O ATOM 0 H GLU A 62 -10.509 5.233 6.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.497 5.216 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.965 2.929 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.069 2.831 8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.573 4.489 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.505 2.951 9.150 1.00 0.00 H new ATOM 984 N LEU A 63 -7.718 4.441 5.615 1.00 0.00 N ATOM 985 CA LEU A 63 -6.655 4.081 4.699 1.00 0.00 C ATOM 986 C LEU A 63 -5.315 4.635 5.178 1.00 0.00 C ATOM 987 O LEU A 63 -4.249 4.126 4.826 1.00 0.00 O ATOM 988 CB LEU A 63 -7.004 4.622 3.317 1.00 0.00 C ATOM 989 CG LEU A 63 -7.236 3.572 2.228 1.00 0.00 C ATOM 990 CD1 LEU A 63 -6.135 2.524 2.239 1.00 0.00 C ATOM 991 CD2 LEU A 63 -8.596 2.922 2.403 1.00 0.00 C ATOM 0 H LEU A 63 -8.530 4.860 5.161 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.559 2.996 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.903 5.233 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.200 5.282 2.993 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.212 4.073 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.324 1.790 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.173 3.005 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.118 2.025 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.747 2.178 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.645 2.439 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.374 3.682 2.335 1.00 0.00 H new ATOM 1003 N GLY A 64 -5.378 5.696 5.977 1.00 0.00 N ATOM 1004 CA GLY A 64 -4.169 6.309 6.494 1.00 0.00 C ATOM 1005 C GLY A 64 -3.529 5.497 7.599 1.00 0.00 C ATOM 1006 O GLY A 64 -2.342 5.655 7.888 1.00 0.00 O ATOM 0 H GLY A 64 -6.245 6.142 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.454 6.435 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.404 7.305 6.870 1.00 0.00 H new ATOM 1010 N SER A 65 -4.314 4.625 8.214 1.00 0.00 N ATOM 1011 CA SER A 65 -3.817 3.774 9.283 1.00 0.00 C ATOM 1012 C SER A 65 -3.215 2.526 8.673 1.00 0.00 C ATOM 1013 O SER A 65 -2.081 2.145 8.961 1.00 0.00 O ATOM 1014 CB SER A 65 -4.958 3.385 10.219 1.00 0.00 C ATOM 1015 OG SER A 65 -4.484 2.626 11.317 1.00 0.00 O ATOM 0 H SER A 65 -5.300 4.489 7.990 1.00 0.00 H new ATOM 0 HA SER A 65 -3.062 4.313 9.856 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.456 4.284 10.583 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.702 2.809 9.669 1.00 0.00 H new ATOM 0 HG SER A 65 -5.235 2.392 11.901 1.00 0.00 H new ATOM 1021 N ILE A 66 -4.009 1.903 7.821 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.607 0.696 7.122 1.00 0.00 C ATOM 1023 C ILE A 66 -2.259 0.899 6.398 1.00 0.00 C ATOM 1024 O ILE A 66 -1.394 0.026 6.430 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.722 0.272 6.132 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.622 -1.207 5.760 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.704 1.139 4.888 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.245 -1.631 5.326 1.00 0.00 C ATOM 0 H ILE A 66 -4.952 2.220 7.594 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.464 -0.104 7.848 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.675 0.418 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.924 -1.809 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.328 -1.419 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.496 0.820 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.863 2.180 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.739 1.041 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.252 -2.692 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.947 -1.056 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.537 -1.452 6.135 1.00 0.00 H new ATOM 1040 N LEU A 67 -2.067 2.065 5.775 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.822 2.347 5.054 1.00 0.00 C ATOM 1042 C LEU A 67 0.396 2.045 5.920 1.00 0.00 C ATOM 1043 O LEU A 67 1.398 1.502 5.445 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.796 3.819 4.616 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.399 4.152 3.236 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -0.300 4.439 2.239 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.279 3.033 2.703 1.00 0.00 C ATOM 0 H LEU A 67 -2.750 2.822 5.755 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.784 1.703 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.326 4.405 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.241 4.156 4.622 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.024 5.035 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.740 4.672 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.291 5.288 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.343 3.564 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.679 3.317 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.688 2.123 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.102 2.856 3.396 1.00 0.00 H new ATOM 1059 N LYS A 68 0.299 2.388 7.198 1.00 0.00 N ATOM 1060 CA LYS A 68 1.394 2.174 8.130 1.00 0.00 C ATOM 1061 C LYS A 68 1.931 0.750 8.060 1.00 0.00 C ATOM 1062 O LYS A 68 3.095 0.510 8.373 1.00 0.00 O ATOM 1063 CB LYS A 68 0.937 2.476 9.550 1.00 0.00 C ATOM 1064 CG LYS A 68 0.510 3.920 9.763 1.00 0.00 C ATOM 1065 CD LYS A 68 -0.406 4.050 10.968 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.596 5.502 11.375 1.00 0.00 C ATOM 1067 NZ LYS A 68 -1.224 6.309 10.293 1.00 0.00 N ATOM 0 H LYS A 68 -0.529 2.816 7.612 1.00 0.00 H new ATOM 0 HA LYS A 68 2.200 2.851 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.104 1.820 9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.747 2.241 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.391 4.546 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.002 4.286 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.375 3.607 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.011 3.489 11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.218 5.549 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.370 5.935 11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.606 7.111 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.360 5.714 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.146 6.666 10.617 1.00 0.00 H new ATOM 1081 N GLY A 69 1.091 -0.198 7.653 1.00 0.00 N ATOM 1082 CA GLY A 69 1.530 -1.584 7.568 1.00 0.00 C ATOM 1083 C GLY A 69 2.896 -1.725 6.931 1.00 0.00 C ATOM 1084 O GLY A 69 3.764 -2.422 7.457 1.00 0.00 O ATOM 0 H GLY A 69 0.121 -0.035 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.554 -2.016 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.804 -2.156 6.991 1.00 0.00 H new ATOM 1088 N PHE A 70 3.088 -1.068 5.794 1.00 0.00 N ATOM 1089 CA PHE A 70 4.366 -1.108 5.108 1.00 0.00 C ATOM 1090 C PHE A 70 5.201 0.109 5.513 1.00 0.00 C ATOM 1091 O PHE A 70 6.348 -0.013 5.935 1.00 0.00 O ATOM 1092 CB PHE A 70 4.178 -1.109 3.586 1.00 0.00 C ATOM 1093 CG PHE A 70 3.619 0.172 3.027 1.00 0.00 C ATOM 1094 CD1 PHE A 70 2.248 0.372 2.918 1.00 0.00 C ATOM 1095 CD2 PHE A 70 4.472 1.176 2.601 1.00 0.00 C ATOM 1096 CE1 PHE A 70 1.746 1.552 2.393 1.00 0.00 C ATOM 1097 CE2 PHE A 70 3.975 2.355 2.077 1.00 0.00 C ATOM 1098 CZ PHE A 70 2.612 2.542 1.974 1.00 0.00 C ATOM 0 H PHE A 70 2.375 -0.504 5.331 1.00 0.00 H new ATOM 0 HA PHE A 70 4.878 -2.027 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.140 -1.308 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.514 -1.930 3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.567 -0.400 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.540 1.036 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.679 1.697 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.653 3.129 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.223 3.463 1.566 1.00 0.00 H new ATOM 1108 N SER A 71 4.555 1.275 5.434 1.00 0.00 N ATOM 1109 CA SER A 71 5.167 2.575 5.716 1.00 0.00 C ATOM 1110 C SER A 71 5.496 2.803 7.189 1.00 0.00 C ATOM 1111 O SER A 71 6.010 3.863 7.546 1.00 0.00 O ATOM 1112 CB SER A 71 4.254 3.692 5.225 1.00 0.00 C ATOM 1113 OG SER A 71 3.101 3.806 6.043 1.00 0.00 O ATOM 0 H SER A 71 3.573 1.343 5.167 1.00 0.00 H new ATOM 0 HA SER A 71 6.117 2.581 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.798 4.637 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.955 3.495 4.195 1.00 0.00 H new ATOM 0 HG SER A 71 3.127 4.657 6.528 1.00 0.00 H new ATOM 1119 N SER A 72 5.206 1.837 8.051 1.00 0.00 N ATOM 1120 CA SER A 72 5.475 2.001 9.482 1.00 0.00 C ATOM 1121 C SER A 72 6.879 2.561 9.730 1.00 0.00 C ATOM 1122 O SER A 72 7.138 3.155 10.775 1.00 0.00 O ATOM 1123 CB SER A 72 5.319 0.665 10.214 1.00 0.00 C ATOM 1124 OG SER A 72 5.709 0.779 11.573 1.00 0.00 O ATOM 0 H SER A 72 4.790 0.942 7.794 1.00 0.00 H new ATOM 0 HA SER A 72 4.748 2.714 9.870 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.282 0.334 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.924 -0.096 9.721 1.00 0.00 H new ATOM 0 HG SER A 72 5.599 -0.087 12.019 1.00 0.00 H new ATOM 1130 N ASP A 73 7.781 2.370 8.771 1.00 0.00 N ATOM 1131 CA ASP A 73 9.140 2.879 8.898 1.00 0.00 C ATOM 1132 C ASP A 73 9.356 4.125 8.036 1.00 0.00 C ATOM 1133 O ASP A 73 10.469 4.382 7.576 1.00 0.00 O ATOM 1134 CB ASP A 73 10.146 1.802 8.508 1.00 0.00 C ATOM 1135 CG ASP A 73 9.791 0.444 9.080 1.00 0.00 C ATOM 1136 OD1 ASP A 73 10.241 0.136 10.204 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.062 -0.313 8.403 1.00 0.00 O ATOM 0 H ASP A 73 7.595 1.869 7.902 1.00 0.00 H new ATOM 0 HA ASP A 73 9.292 3.157 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.197 1.733 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.137 2.092 8.856 1.00 0.00 H new ATOM 1142 N ALA A 74 8.293 4.900 7.822 1.00 0.00 N ATOM 1143 CA ALA A 74 8.389 6.117 7.018 1.00 0.00 C ATOM 1144 C ALA A 74 7.306 7.131 7.390 1.00 0.00 C ATOM 1145 O ALA A 74 7.511 7.971 8.267 1.00 0.00 O ATOM 1146 CB ALA A 74 8.325 5.784 5.534 1.00 0.00 C ATOM 0 H ALA A 74 7.362 4.708 8.191 1.00 0.00 H new ATOM 0 HA ALA A 74 9.354 6.576 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.398 6.702 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.151 5.123 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.380 5.288 5.313 1.00 0.00 H new ATOM 1152 N ARG A 75 6.157 7.052 6.722 1.00 0.00 N ATOM 1153 CA ARG A 75 5.055 7.973 6.987 1.00 0.00 C ATOM 1154 C ARG A 75 3.715 7.323 6.659 1.00 0.00 C ATOM 1155 O ARG A 75 3.656 6.140 6.329 1.00 0.00 O ATOM 1156 CB ARG A 75 5.234 9.257 6.177 1.00 0.00 C ATOM 1157 CG ARG A 75 6.417 10.091 6.631 1.00 0.00 C ATOM 1158 CD ARG A 75 6.461 11.433 5.922 1.00 0.00 C ATOM 1159 NE ARG A 75 5.289 12.251 6.223 1.00 0.00 N ATOM 1160 CZ ARG A 75 5.208 13.549 5.951 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.224 14.171 5.371 1.00 0.00 N ATOM 1162 NH2 ARG A 75 4.110 14.224 6.257 1.00 0.00 N ATOM 0 H ARG A 75 5.966 6.362 5.996 1.00 0.00 H new ATOM 0 HA ARG A 75 5.063 8.221 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.361 9.000 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.326 9.855 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.359 10.250 7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.342 9.547 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.363 11.969 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.524 11.272 4.846 1.00 0.00 H new ATOM 0 HE ARG A 75 4.488 11.801 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.070 13.653 5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.160 15.167 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.326 13.747 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.049 15.220 6.048 1.00 0.00 H new ATOM 1176 N ASP A 76 2.638 8.098 6.747 1.00 0.00 N ATOM 1177 CA ASP A 76 1.302 7.579 6.472 1.00 0.00 C ATOM 1178 C ASP A 76 0.553 8.437 5.457 1.00 0.00 C ATOM 1179 O ASP A 76 0.725 9.655 5.398 1.00 0.00 O ATOM 1180 CB ASP A 76 0.496 7.506 7.770 1.00 0.00 C ATOM 1181 CG ASP A 76 0.313 8.867 8.414 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -0.686 9.546 8.092 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.166 9.252 9.239 1.00 0.00 O ATOM 0 H ASP A 76 2.664 9.084 7.006 1.00 0.00 H new ATOM 0 HA ASP A 76 1.419 6.582 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.482 7.070 7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.000 6.840 8.471 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.277 7.771 4.659 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.113 8.414 3.642 1.00 0.00 C ATOM 1190 C LEU A 77 -1.617 9.786 4.116 1.00 0.00 C ATOM 1191 O LEU A 77 -2.061 9.929 5.255 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.282 7.455 3.343 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.666 8.069 3.103 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.838 8.413 1.648 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.747 7.109 3.542 1.00 0.00 C ATOM 0 H LEU A 77 -0.391 6.758 4.698 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.536 8.602 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.018 6.869 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.365 6.758 4.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.749 8.983 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.825 8.848 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.074 9.131 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.740 7.509 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.725 7.557 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.665 6.183 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.632 6.893 4.604 1.00 0.00 H new ATOM 1207 N SER A 78 -1.548 10.787 3.240 1.00 0.00 N ATOM 1208 CA SER A 78 -2.023 12.122 3.576 1.00 0.00 C ATOM 1209 C SER A 78 -3.245 12.471 2.733 1.00 0.00 C ATOM 1210 O SER A 78 -3.699 11.664 1.923 1.00 0.00 O ATOM 1211 CB SER A 78 -0.918 13.156 3.358 1.00 0.00 C ATOM 1212 OG SER A 78 0.197 12.891 4.193 1.00 0.00 O ATOM 0 H SER A 78 -1.169 10.697 2.297 1.00 0.00 H new ATOM 0 HA SER A 78 -2.305 12.135 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.606 13.145 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.303 14.154 3.565 1.00 0.00 H new ATOM 0 HG SER A 78 0.891 13.564 4.035 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.777 13.675 2.922 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.946 14.120 2.168 1.00 0.00 C ATOM 1220 C ALA A 79 -4.768 13.844 0.680 1.00 0.00 C ATOM 1221 O ALA A 79 -5.635 13.260 0.030 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.178 15.605 2.393 1.00 0.00 C ATOM 0 H ALA A 79 -3.419 14.359 3.589 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.813 13.563 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.052 15.927 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.345 15.791 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.304 16.164 2.060 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.627 14.272 0.156 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.297 14.078 -1.250 1.00 0.00 C ATOM 1230 C LYS A 80 -3.357 12.601 -1.632 1.00 0.00 C ATOM 1231 O LYS A 80 -4.047 12.218 -2.574 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.891 14.610 -1.518 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.451 14.464 -2.965 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.121 15.155 -3.216 1.00 0.00 C ATOM 1235 CE LYS A 80 0.329 14.986 -4.656 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.674 15.524 -5.616 1.00 0.00 N ATOM 0 H LYS A 80 -2.908 14.761 0.690 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.027 14.620 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.851 15.663 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.184 14.083 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.366 13.407 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.211 14.887 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.211 16.216 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.635 14.745 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.281 15.496 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.499 13.929 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.242 15.610 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.488 14.878 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.994 16.460 -5.295 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.626 11.785 -0.885 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.565 10.347 -1.119 1.00 0.00 C ATOM 1252 C GLU A 81 -3.944 9.710 -1.012 1.00 0.00 C ATOM 1253 O GLU A 81 -4.193 8.661 -1.601 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.611 9.700 -0.107 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.238 10.350 -0.051 1.00 0.00 C ATOM 1256 CD GLU A 81 0.664 9.698 0.976 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.303 8.677 0.642 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.735 10.207 2.114 1.00 0.00 O ATOM 0 H GLU A 81 -2.058 12.101 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.195 10.181 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.064 9.744 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.493 8.646 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.230 10.290 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.349 11.408 0.185 1.00 0.00 H new ATOM 1265 N THR A 82 -4.842 10.326 -0.253 1.00 0.00 N ATOM 1266 CA THR A 82 -6.182 9.780 -0.122 1.00 0.00 C ATOM 1267 C THR A 82 -6.849 9.803 -1.477 1.00 0.00 C ATOM 1268 O THR A 82 -7.379 8.797 -1.949 1.00 0.00 O ATOM 1269 CB THR A 82 -7.023 10.592 0.878 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.346 10.671 2.138 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.389 9.958 1.073 1.00 0.00 C ATOM 0 H THR A 82 -4.671 11.185 0.270 1.00 0.00 H new ATOM 0 HA THR A 82 -6.109 8.759 0.253 1.00 0.00 H new ATOM 0 HB THR A 82 -7.158 11.596 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.498 11.148 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.966 10.549 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.914 9.924 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.268 8.945 1.457 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.815 10.969 -2.093 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.357 11.143 -3.422 1.00 0.00 C ATOM 1281 C LYS A 83 -6.403 10.588 -4.473 1.00 0.00 C ATOM 1282 O LYS A 83 -6.826 10.175 -5.551 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.638 12.623 -3.693 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.805 13.182 -2.892 1.00 0.00 C ATOM 1285 CD LYS A 83 -10.115 13.066 -3.656 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.367 11.642 -4.125 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.653 11.520 -4.867 1.00 0.00 N ATOM 0 H LYS A 83 -6.414 11.815 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.294 10.590 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.743 13.201 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.841 12.756 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.887 12.648 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.614 14.228 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.938 13.391 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.095 13.735 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.546 11.321 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.380 10.973 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.787 10.534 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.439 11.802 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.632 12.138 -5.703 1.00 0.00 H new ATOM 1301 N THR A 84 -5.101 10.589 -4.159 1.00 0.00 N ATOM 1302 CA THR A 84 -4.102 10.142 -5.116 1.00 0.00 C ATOM 1303 C THR A 84 -3.816 8.644 -5.069 1.00 0.00 C ATOM 1304 O THR A 84 -3.997 7.942 -6.062 1.00 0.00 O ATOM 1305 CB THR A 84 -2.775 10.896 -4.921 1.00 0.00 C ATOM 1306 OG1 THR A 84 -3.003 12.310 -4.963 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.771 10.511 -5.998 1.00 0.00 C ATOM 0 H THR A 84 -4.726 10.892 -3.260 1.00 0.00 H new ATOM 0 HA THR A 84 -4.536 10.362 -6.091 1.00 0.00 H new ATOM 0 HB THR A 84 -2.367 10.621 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.322 12.616 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.841 11.056 -5.840 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.577 9.440 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.176 10.761 -6.979 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.373 8.158 -3.918 1.00 0.00 N ATOM 1316 CA LEU A 85 -3.022 6.744 -3.786 1.00 0.00 C ATOM 1317 C LEU A 85 -4.203 5.819 -3.498 1.00 0.00 C ATOM 1318 O LEU A 85 -4.404 4.839 -4.213 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.943 6.560 -2.725 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.542 7.024 -3.143 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.180 6.470 -4.510 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.460 8.542 -3.147 1.00 0.00 C ATOM 0 H LEU A 85 -3.248 8.711 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.646 6.448 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.238 7.105 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.895 5.505 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 85 0.175 6.642 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.817 6.811 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.195 5.381 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.902 6.821 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.541 8.851 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.189 8.944 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.673 8.921 -2.147 1.00 0.00 H new ATOM 1334 N MET A 86 -5.000 6.127 -2.477 1.00 0.00 N ATOM 1335 CA MET A 86 -6.127 5.250 -2.141 1.00 0.00 C ATOM 1336 C MET A 86 -7.099 5.161 -3.305 1.00 0.00 C ATOM 1337 O MET A 86 -7.454 4.073 -3.750 1.00 0.00 O ATOM 1338 CB MET A 86 -6.861 5.722 -0.883 1.00 0.00 C ATOM 1339 CG MET A 86 -5.935 6.210 0.221 1.00 0.00 C ATOM 1340 SD MET A 86 -4.810 4.931 0.824 1.00 0.00 S ATOM 1341 CE MET A 86 -3.534 4.943 -0.432 1.00 0.00 C ATOM 0 H MET A 86 -4.896 6.949 -1.883 1.00 0.00 H new ATOM 0 HA MET A 86 -5.717 4.261 -1.938 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.545 6.527 -1.153 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.469 4.903 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.351 7.053 -0.149 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.535 6.579 1.053 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.579 4.672 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.785 4.224 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.461 5.940 -0.867 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.505 6.317 -3.803 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.418 6.395 -4.931 1.00 0.00 C ATOM 1353 C ALA A 87 -7.826 5.694 -6.154 1.00 0.00 C ATOM 1354 O ALA A 87 -8.555 5.272 -7.052 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.743 7.851 -5.224 1.00 0.00 C ATOM 0 H ALA A 87 -7.213 7.224 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.345 5.880 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.428 7.908 -6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.210 8.303 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.825 8.388 -5.464 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.496 5.584 -6.188 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.810 4.933 -7.298 1.00 0.00 C ATOM 1363 C ALA A 88 -5.909 3.412 -7.189 1.00 0.00 C ATOM 1364 O ALA A 88 -6.528 2.760 -8.029 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.354 5.369 -7.344 1.00 0.00 C ATOM 0 H ALA A 88 -5.876 5.938 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.298 5.236 -8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.853 4.876 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.302 6.450 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.862 5.094 -6.411 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.294 2.852 -6.148 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.336 1.411 -5.949 1.00 0.00 C ATOM 1373 C GLY A 89 -6.746 0.866 -6.032 1.00 0.00 C ATOM 1374 O GLY A 89 -6.960 -0.287 -6.407 1.00 0.00 O ATOM 0 H GLY A 89 -4.769 3.368 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.714 0.923 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.910 1.167 -4.976 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.706 1.709 -5.677 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.118 1.354 -5.715 1.00 0.00 C ATOM 1380 C ASP A 90 -9.744 1.813 -7.026 1.00 0.00 C ATOM 1381 O ASP A 90 -10.861 2.319 -7.046 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.877 1.927 -4.514 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.923 3.443 -4.501 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.032 4.046 -5.589 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.850 4.027 -3.401 1.00 0.00 O ATOM 0 H ASP A 90 -7.527 2.660 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.193 0.268 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.896 1.540 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.407 1.577 -3.595 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.974 1.657 -8.102 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.356 2.062 -9.457 1.00 0.00 C ATOM 1392 C LYS A 91 -10.864 2.035 -9.709 1.00 0.00 C ATOM 1393 O LYS A 91 -11.373 2.843 -10.487 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.653 1.124 -10.433 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.791 1.510 -11.884 1.00 0.00 C ATOM 1396 CD LYS A 91 -10.185 1.232 -12.407 1.00 0.00 C ATOM 1397 CE LYS A 91 -10.149 0.459 -13.715 1.00 0.00 C ATOM 1398 NZ LYS A 91 -9.540 -0.889 -13.547 1.00 0.00 N ATOM 0 H LYS A 91 -8.046 1.236 -8.056 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.054 3.100 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.593 1.085 -10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.050 0.118 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.562 2.569 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.063 0.958 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.746 0.665 -11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.713 2.174 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.162 0.354 -14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.582 1.024 -14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.908 -1.530 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.507 -0.817 -13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.779 -1.263 -12.607 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.579 1.127 -9.071 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.026 1.064 -9.247 1.00 0.00 C ATOM 1414 C ASP A 92 -13.665 2.417 -8.909 1.00 0.00 C ATOM 1415 O ASP A 92 -14.788 2.706 -9.324 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.626 -0.036 -8.369 1.00 0.00 C ATOM 1417 CG ASP A 92 -15.131 -0.142 -8.523 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -15.586 -0.829 -9.463 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.856 0.462 -7.705 1.00 0.00 O ATOM 0 H ASP A 92 -11.193 0.430 -8.434 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.235 0.829 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.169 -0.992 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.383 0.163 -7.325 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.936 3.242 -8.152 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.417 4.564 -7.787 1.00 0.00 C ATOM 1426 C GLY A 93 -14.387 4.546 -6.626 1.00 0.00 C ATOM 1427 O GLY A 93 -15.435 5.192 -6.674 1.00 0.00 O ATOM 0 H GLY A 93 -12.013 3.012 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.566 5.195 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.903 5.018 -8.651 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.039 3.811 -5.580 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.876 3.727 -4.393 1.00 0.00 C ATOM 1433 C ASP A 94 -14.227 4.449 -3.211 1.00 0.00 C ATOM 1434 O ASP A 94 -14.849 4.621 -2.163 1.00 0.00 O ATOM 1435 CB ASP A 94 -15.138 2.264 -4.030 1.00 0.00 C ATOM 1436 CG ASP A 94 -13.856 1.479 -3.826 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -13.341 0.916 -4.815 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -13.367 1.429 -2.678 1.00 0.00 O ATOM 0 H ASP A 94 -13.180 3.263 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.825 4.215 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -15.736 2.220 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.725 1.796 -4.820 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.975 4.881 -3.388 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.270 5.568 -2.324 1.00 0.00 C ATOM 1445 C GLY A 95 -11.924 4.638 -1.185 1.00 0.00 C ATOM 1446 O GLY A 95 -11.803 5.065 -0.037 1.00 0.00 O ATOM 0 H GLY A 95 -12.442 4.765 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.357 6.011 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.885 6.386 -1.950 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.759 3.363 -1.510 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.426 2.357 -0.509 1.00 0.00 C ATOM 1452 C LYS A 96 -10.646 1.210 -1.139 1.00 0.00 C ATOM 1453 O LYS A 96 -10.923 0.805 -2.267 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.708 1.816 0.140 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.779 2.877 0.327 1.00 0.00 C ATOM 1456 CD LYS A 96 -15.064 2.290 0.887 1.00 0.00 C ATOM 1457 CE LYS A 96 -16.129 3.361 1.053 1.00 0.00 C ATOM 1458 NZ LYS A 96 -17.355 2.830 1.712 1.00 0.00 N ATOM 0 H LYS A 96 -11.850 3.000 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.805 2.825 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.107 1.011 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.462 1.383 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.410 3.651 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.985 3.357 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.431 1.509 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.863 1.820 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.727 4.184 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.390 3.768 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.056 3.592 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.754 2.062 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.112 2.465 2.655 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.677 0.681 -0.400 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.869 -0.422 -0.895 1.00 0.00 C ATOM 1474 C ILE A 97 -9.275 -1.734 -0.232 1.00 0.00 C ATOM 1475 O ILE A 97 -9.579 -1.777 0.960 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.358 -0.176 -0.673 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.898 1.050 -1.465 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.542 -1.398 -1.077 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.400 1.263 -1.435 1.00 0.00 C ATOM 0 H ILE A 97 -9.434 0.998 0.539 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.050 -0.489 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.197 0.007 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.221 0.945 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.391 1.936 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.483 -1.199 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.849 -2.255 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.710 -1.615 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.147 2.149 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.073 1.400 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.900 0.394 -1.862 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.280 -2.795 -1.023 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.643 -4.106 -0.526 1.00 0.00 C ATOM 1493 C GLY A 98 -8.792 -5.185 -1.150 1.00 0.00 C ATOM 1494 O GLY A 98 -8.035 -4.920 -2.080 1.00 0.00 O ATOM 0 H GLY A 98 -9.036 -2.771 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.528 -4.131 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.694 -4.300 -0.740 1.00 0.00 H new ATOM 1498 N VAL A 99 -8.906 -6.404 -0.644 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.128 -7.518 -1.181 1.00 0.00 C ATOM 1500 C VAL A 99 -8.208 -7.557 -2.708 1.00 0.00 C ATOM 1501 O VAL A 99 -7.233 -7.883 -3.383 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.608 -8.870 -0.614 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.007 -9.201 -1.113 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.629 -9.977 -0.980 1.00 0.00 C ATOM 0 H VAL A 99 -9.523 -6.649 0.131 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.094 -7.357 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.648 -8.791 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.324 -10.159 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.700 -8.422 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.001 -9.260 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.982 -10.924 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.555 -10.054 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.648 -9.747 -0.565 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.381 -7.222 -3.240 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.595 -7.221 -4.689 1.00 0.00 C ATOM 1516 C GLU A 100 -8.903 -6.028 -5.333 1.00 0.00 C ATOM 1517 O GLU A 100 -8.106 -6.172 -6.260 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.087 -7.175 -5.051 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.024 -7.493 -3.908 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.480 -7.524 -4.328 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -14.091 -6.438 -4.434 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -14.011 -8.632 -4.548 1.00 0.00 O ATOM 0 H GLU A 100 -10.197 -6.948 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.171 -8.151 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.324 -6.182 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.272 -7.880 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.754 -8.459 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.894 -6.750 -3.121 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.227 -4.845 -4.821 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.672 -3.599 -5.330 1.00 0.00 C ATOM 1531 C GLU A 101 -7.162 -3.520 -5.127 1.00 0.00 C ATOM 1532 O GLU A 101 -6.454 -2.911 -5.930 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.362 -2.420 -4.649 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.463 -1.795 -5.490 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.515 -2.800 -5.918 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -12.473 -3.019 -5.149 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.381 -3.367 -7.023 1.00 0.00 O ATOM 0 H GLU A 101 -9.879 -4.725 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.853 -3.562 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.785 -2.754 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.618 -1.659 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.940 -0.996 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.022 -1.337 -6.376 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.667 -4.131 -4.056 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.236 -4.117 -3.779 1.00 0.00 C ATOM 1546 C PHE A 102 -4.464 -4.618 -4.992 1.00 0.00 C ATOM 1547 O PHE A 102 -3.300 -4.266 -5.191 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.910 -4.975 -2.559 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.692 -4.512 -1.814 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.760 -3.452 -0.926 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.484 -5.146 -2.003 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.635 -3.034 -0.240 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.354 -4.737 -1.318 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.429 -3.679 -0.436 1.00 0.00 C ATOM 0 H PHE A 102 -7.229 -4.637 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.938 -3.090 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.764 -4.971 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.761 -6.006 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.701 -2.947 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.418 -5.973 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.699 -2.204 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.414 -5.245 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.548 -3.356 0.099 1.00 0.00 H new ATOM 1564 N SER A 103 -5.124 -5.442 -5.801 1.00 0.00 N ATOM 1565 CA SER A 103 -4.510 -5.983 -7.004 1.00 0.00 C ATOM 1566 C SER A 103 -4.301 -4.874 -8.028 1.00 0.00 C ATOM 1567 O SER A 103 -3.237 -4.773 -8.639 1.00 0.00 O ATOM 1568 CB SER A 103 -5.386 -7.087 -7.600 1.00 0.00 C ATOM 1569 OG SER A 103 -4.807 -7.614 -8.782 1.00 0.00 O ATOM 0 H SER A 103 -6.084 -5.748 -5.643 1.00 0.00 H new ATOM 0 HA SER A 103 -3.543 -6.410 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.519 -7.885 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.377 -6.690 -7.822 1.00 0.00 H new ATOM 0 HG SER A 103 -5.384 -8.319 -9.143 1.00 0.00 H new ATOM 1575 N THR A 104 -5.326 -4.042 -8.212 1.00 0.00 N ATOM 1576 CA THR A 104 -5.239 -2.937 -9.157 1.00 0.00 C ATOM 1577 C THR A 104 -4.082 -2.020 -8.790 1.00 0.00 C ATOM 1578 O THR A 104 -3.325 -1.577 -9.653 1.00 0.00 O ATOM 1579 CB THR A 104 -6.544 -2.111 -9.213 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.641 -2.954 -9.583 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.404 -0.978 -10.222 1.00 0.00 C ATOM 0 H THR A 104 -6.218 -4.114 -7.722 1.00 0.00 H new ATOM 0 HA THR A 104 -5.073 -3.374 -10.142 1.00 0.00 H new ATOM 0 HB THR A 104 -6.734 -1.688 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.465 -2.424 -9.615 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.329 -0.402 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.581 -0.327 -9.926 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.201 -1.393 -11.209 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.950 -1.744 -7.496 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.874 -0.894 -7.003 1.00 0.00 C ATOM 1591 C LEU A 105 -1.528 -1.432 -7.467 1.00 0.00 C ATOM 1592 O LEU A 105 -0.576 -0.677 -7.656 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.919 -0.827 -5.475 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.934 0.153 -4.837 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.099 1.543 -5.435 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -2.133 0.188 -3.330 1.00 0.00 C ATOM 0 H LEU A 105 -4.575 -2.097 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.005 0.111 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.929 -0.553 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.724 -1.823 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.919 -0.186 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.390 2.226 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.911 1.502 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.114 1.897 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.426 0.889 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.151 0.507 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.965 -0.807 -2.918 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.459 -2.748 -7.645 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.237 -3.390 -8.104 1.00 0.00 C ATOM 1610 C VAL A 106 0.029 -3.026 -9.556 1.00 0.00 C ATOM 1611 O VAL A 106 1.166 -2.753 -9.945 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.320 -4.921 -7.971 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.018 -5.560 -8.303 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.770 -5.305 -6.571 1.00 0.00 C ATOM 0 H VAL A 106 -2.235 -3.388 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 106 0.579 -3.033 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.057 -5.292 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.939 -6.643 -8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.297 -5.309 -9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.779 -5.187 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.824 -6.391 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.056 -4.923 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.753 -4.877 -6.375 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.033 -3.024 -10.356 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.930 -2.671 -11.763 1.00 0.00 C ATOM 1626 C ALA A 107 -0.790 -1.163 -11.911 1.00 0.00 C ATOM 1627 O ALA A 107 -0.199 -0.672 -12.872 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.146 -3.173 -12.526 1.00 0.00 C ATOM 0 H ALA A 107 -1.976 -3.264 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.044 -3.147 -12.183 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.054 -2.901 -13.577 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.210 -4.257 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.047 -2.721 -12.112 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.346 -0.435 -10.946 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.281 1.018 -10.946 1.00 0.00 C ATOM 1636 C GLU A 108 0.147 1.494 -11.139 1.00 0.00 C ATOM 1637 O GLU A 108 0.487 2.105 -12.152 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.809 1.571 -9.631 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.322 1.580 -9.558 1.00 0.00 C ATOM 1640 CD GLU A 108 -3.937 2.697 -10.378 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -3.681 3.877 -10.062 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.671 2.391 -11.343 1.00 0.00 O ATOM 0 H GLU A 108 -1.848 -0.833 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.896 1.378 -11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.415 0.975 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.438 2.587 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.705 0.622 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.632 1.684 -8.518 1.00 0.00 H new ATOM 1649 N SER A 109 0.978 1.198 -10.149 1.00 0.00 N ATOM 1650 CA SER A 109 2.373 1.593 -10.174 1.00 0.00 C ATOM 1651 C SER A 109 3.109 0.927 -11.334 1.00 0.00 C ATOM 1652 O SER A 109 3.149 1.525 -12.429 1.00 0.00 O ATOM 1653 CB SER A 109 3.032 1.220 -8.851 1.00 0.00 C ATOM 1654 OG SER A 109 4.429 1.401 -8.915 1.00 0.00 O ATOM 1655 OXT SER A 109 3.639 -0.187 -11.134 1.00 0.00 O ATOM 0 H SER A 109 0.704 0.681 -9.314 1.00 0.00 H new ATOM 0 HA SER A 109 2.427 2.672 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.619 1.832 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.807 0.182 -8.608 1.00 0.00 H new ATOM 0 HG SER A 109 4.708 2.039 -8.226 1.00 0.00 H new