USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 500 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 Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.574 K(o=0.57,f=-5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.8!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.495 9.556 -0.654 1.00 0.00 N ATOM 99 CA GLU A 56 1.728 8.135 -0.894 1.00 0.00 C ATOM 100 C GLU A 56 1.987 7.409 0.421 1.00 0.00 C ATOM 101 O GLU A 56 2.774 7.863 1.250 1.00 0.00 O ATOM 102 CB GLU A 56 2.931 7.939 -1.819 1.00 0.00 C ATOM 103 CG GLU A 56 2.723 8.745 -3.104 1.00 0.00 C ATOM 104 CD GLU A 56 4.015 8.752 -3.915 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.622 7.701 -4.036 1.00 0.00 O ATOM 106 OE2 GLU A 56 4.377 9.810 -4.403 1.00 0.00 O ATOM 0 HA GLU A 56 0.837 7.722 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.844 8.261 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.053 6.882 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.915 8.310 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.428 9.766 -2.862 1.00 0.00 H new ATOM 113 N ILE A 57 1.312 6.278 0.601 1.00 0.00 N ATOM 114 CA ILE A 57 1.473 5.490 1.821 1.00 0.00 C ATOM 115 C ILE A 57 2.745 4.638 1.736 1.00 0.00 C ATOM 116 O ILE A 57 2.811 3.698 0.943 1.00 0.00 O ATOM 117 CB ILE A 57 0.267 4.566 2.022 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.023 5.388 1.959 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.367 3.882 3.387 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.228 4.446 1.915 1.00 0.00 C ATOM 0 H ILE A 57 0.654 5.888 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 57 1.548 6.177 2.664 1.00 0.00 H new ATOM 0 HB ILE A 57 0.256 3.810 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.092 6.043 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.016 6.028 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.491 3.225 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.284 3.295 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.379 4.638 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.146 5.032 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.160 3.809 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.237 3.825 2.811 1.00 0.00 H new ATOM 132 N PRO A 58 3.774 4.949 2.543 1.00 0.00 N ATOM 133 CA PRO A 58 5.034 4.189 2.529 1.00 0.00 C ATOM 134 C PRO A 58 4.885 2.806 3.159 1.00 0.00 C ATOM 135 O PRO A 58 4.279 2.654 4.220 1.00 0.00 O ATOM 136 CB PRO A 58 5.992 5.047 3.351 1.00 0.00 C ATOM 137 CG PRO A 58 5.118 5.848 4.253 1.00 0.00 C ATOM 138 CD PRO A 58 3.815 6.045 3.531 1.00 0.00 C ATOM 0 HA PRO A 58 5.379 4.006 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.685 4.428 3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.593 5.692 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.961 5.330 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.579 6.807 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.969 5.994 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.773 7.020 3.045 1.00 0.00 H new ATOM 146 N ALA A 59 5.444 1.801 2.492 1.00 0.00 N ATOM 147 CA ALA A 59 5.370 0.431 2.993 1.00 0.00 C ATOM 148 C ALA A 59 6.241 0.271 4.242 1.00 0.00 C ATOM 149 O ALA A 59 7.266 0.938 4.380 1.00 0.00 O ATOM 150 CB ALA A 59 5.843 -0.558 1.926 1.00 0.00 C ATOM 0 H ALA A 59 5.949 1.906 1.612 1.00 0.00 H new ATOM 0 HA ALA A 59 4.330 0.222 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.781 -1.573 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.210 -0.470 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.875 -0.336 1.656 1.00 0.00 H new ATOM 156 N PRO A 60 5.845 -0.617 5.163 1.00 0.00 N ATOM 157 CA PRO A 60 6.604 -0.855 6.401 1.00 0.00 C ATOM 158 C PRO A 60 7.903 -1.616 6.147 1.00 0.00 C ATOM 159 O PRO A 60 8.880 -1.469 6.882 1.00 0.00 O ATOM 160 CB PRO A 60 5.657 -1.692 7.259 1.00 0.00 C ATOM 161 CG PRO A 60 4.753 -2.371 6.288 1.00 0.00 C ATOM 162 CD PRO A 60 4.639 -1.464 5.096 1.00 0.00 C ATOM 0 HA PRO A 60 6.905 0.080 6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.206 -2.417 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.094 -1.066 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.155 -3.342 5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.774 -2.551 6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.604 -2.032 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.730 -0.865 5.138 1.00 0.00 H new ATOM 170 N LEU A 61 7.903 -2.430 5.096 1.00 0.00 N ATOM 171 CA LEU A 61 9.086 -3.212 4.748 1.00 0.00 C ATOM 172 C LEU A 61 8.970 -3.746 3.324 1.00 0.00 C ATOM 173 O LEU A 61 7.885 -3.783 2.745 1.00 0.00 O ATOM 174 CB LEU A 61 9.250 -4.390 5.709 1.00 0.00 C ATOM 175 CG LEU A 61 7.961 -5.139 6.056 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.739 -6.271 5.052 1.00 0.00 C ATOM 177 CD2 LEU A 61 8.076 -5.725 7.466 1.00 0.00 C ATOM 0 H LEU A 61 7.105 -2.565 4.475 1.00 0.00 H new ATOM 0 HA LEU A 61 9.956 -2.559 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.955 -5.098 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.697 -4.024 6.633 1.00 0.00 H new ATOM 0 HG LEU A 61 7.119 -4.448 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.821 -6.803 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.657 -5.856 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.581 -6.962 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.159 -6.259 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.919 -6.415 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.232 -4.919 8.183 1.00 0.00 H new ATOM 189 N ALA A 62 10.105 -4.159 2.767 1.00 0.00 N ATOM 190 CA ALA A 62 10.124 -4.691 1.407 1.00 0.00 C ATOM 191 C ALA A 62 9.530 -6.095 1.376 1.00 0.00 C ATOM 192 O ALA A 62 10.050 -7.019 2.001 1.00 0.00 O ATOM 193 CB ALA A 62 11.557 -4.745 0.873 1.00 0.00 C ATOM 0 H ALA A 62 11.014 -4.137 3.229 1.00 0.00 H new ATOM 0 HA ALA A 62 9.527 -4.030 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.552 -5.144 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.981 -3.741 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.160 -5.389 1.513 1.00 0.00 H new ATOM 199 N GLY A 63 8.433 -6.244 0.639 1.00 0.00 N ATOM 200 CA GLY A 63 7.770 -7.541 0.530 1.00 0.00 C ATOM 201 C GLY A 63 7.164 -7.721 -0.857 1.00 0.00 C ATOM 202 O GLY A 63 7.699 -7.233 -1.853 1.00 0.00 O ATOM 0 H GLY A 63 7.988 -5.492 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.486 -8.339 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.989 -7.621 1.287 1.00 0.00 H new ATOM 206 N THR A 64 6.039 -8.428 -0.910 1.00 0.00 N ATOM 207 CA THR A 64 5.363 -8.670 -2.183 1.00 0.00 C ATOM 208 C THR A 64 3.857 -8.490 -2.027 1.00 0.00 C ATOM 209 O THR A 64 3.247 -9.008 -1.092 1.00 0.00 O ATOM 210 CB THR A 64 5.647 -10.090 -2.682 1.00 0.00 C ATOM 211 OG1 THR A 64 7.049 -10.319 -2.676 1.00 0.00 O ATOM 212 CG2 THR A 64 5.107 -10.252 -4.104 1.00 0.00 C ATOM 0 H THR A 64 5.580 -8.840 -0.098 1.00 0.00 H new ATOM 0 HA THR A 64 5.743 -7.950 -2.908 1.00 0.00 H new ATOM 0 HB THR A 64 5.157 -10.811 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.233 -11.228 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.310 -11.263 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.031 -10.076 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.594 -9.533 -4.762 1.00 0.00 H new ATOM 220 N VAL A 65 3.264 -7.747 -2.957 1.00 0.00 N ATOM 221 CA VAL A 65 1.824 -7.502 -2.919 1.00 0.00 C ATOM 222 C VAL A 65 1.061 -8.780 -3.250 1.00 0.00 C ATOM 223 O VAL A 65 1.370 -9.472 -4.220 1.00 0.00 O ATOM 224 CB VAL A 65 1.437 -6.414 -3.925 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.030 -6.032 -3.725 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.316 -5.179 -3.707 1.00 0.00 C ATOM 0 H VAL A 65 3.751 -7.308 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 65 1.564 -7.172 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 65 1.582 -6.791 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.305 -5.258 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.659 -6.909 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.173 -5.657 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.040 -4.405 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.172 -4.804 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.363 -5.448 -3.849 1.00 0.00 H new ATOM 236 N SER A 66 0.059 -9.088 -2.431 1.00 0.00 N ATOM 237 CA SER A 66 -0.745 -10.288 -2.644 1.00 0.00 C ATOM 238 C SER A 66 -2.078 -9.932 -3.295 1.00 0.00 C ATOM 239 O SER A 66 -2.414 -10.432 -4.368 1.00 0.00 O ATOM 240 CB SER A 66 -1.013 -10.995 -1.316 1.00 0.00 C ATOM 241 OG SER A 66 -1.294 -12.367 -1.563 1.00 0.00 O ATOM 0 H SER A 66 -0.214 -8.530 -1.622 1.00 0.00 H new ATOM 0 HA SER A 66 -0.186 -10.952 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.148 -10.901 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.853 -10.526 -0.804 1.00 0.00 H new ATOM 0 HG SER A 66 -1.465 -12.824 -0.713 1.00 0.00 H new ATOM 247 N LYS A 67 -2.834 -9.061 -2.631 1.00 0.00 N ATOM 248 CA LYS A 67 -4.131 -8.644 -3.155 1.00 0.00 C ATOM 249 C LYS A 67 -4.456 -7.222 -2.707 1.00 0.00 C ATOM 250 O LYS A 67 -4.088 -6.800 -1.611 1.00 0.00 O ATOM 251 CB LYS A 67 -5.234 -9.586 -2.664 1.00 0.00 C ATOM 252 CG LYS A 67 -6.546 -9.255 -3.379 1.00 0.00 C ATOM 253 CD LYS A 67 -7.467 -10.476 -3.347 1.00 0.00 C ATOM 254 CE LYS A 67 -8.102 -10.600 -1.962 1.00 0.00 C ATOM 255 NZ LYS A 67 -9.122 -11.687 -1.926 1.00 0.00 N ATOM 0 H LYS A 67 -2.575 -8.635 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.081 -8.679 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.954 -10.622 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.360 -9.485 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.032 -8.407 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.347 -8.963 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.242 -10.380 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.901 -11.378 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.328 -10.801 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.567 -9.653 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.534 -11.745 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.873 -11.481 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.672 -12.594 -2.164 1.00 0.00 H new ATOM 269 N ILE A 68 -5.153 -6.490 -3.571 1.00 0.00 N ATOM 270 CA ILE A 68 -5.529 -5.113 -3.261 1.00 0.00 C ATOM 271 C ILE A 68 -6.971 -5.061 -2.764 1.00 0.00 C ATOM 272 O ILE A 68 -7.865 -5.674 -3.347 1.00 0.00 O ATOM 273 CB ILE A 68 -5.394 -4.226 -4.503 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.991 -4.382 -5.098 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.616 -2.763 -4.115 1.00 0.00 C ATOM 276 CD1 ILE A 68 -4.017 -3.995 -6.579 1.00 0.00 C ATOM 0 H ILE A 68 -5.467 -6.822 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.860 -4.745 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.139 -4.527 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.284 -3.751 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.650 -5.411 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.520 -2.133 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.614 -2.646 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.872 -2.466 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.018 -4.106 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.711 -4.644 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.340 -2.959 -6.679 1.00 0.00 H new ATOM 288 N LEU A 69 -7.184 -4.324 -1.676 1.00 0.00 N ATOM 289 CA LEU A 69 -8.523 -4.201 -1.104 1.00 0.00 C ATOM 290 C LEU A 69 -9.185 -2.904 -1.560 1.00 0.00 C ATOM 291 O LEU A 69 -10.405 -2.834 -1.706 1.00 0.00 O ATOM 292 CB LEU A 69 -8.456 -4.213 0.423 1.00 0.00 C ATOM 293 CG LEU A 69 -8.131 -5.568 1.056 1.00 0.00 C ATOM 294 CD1 LEU A 69 -6.614 -5.724 1.174 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.760 -5.645 2.449 1.00 0.00 C ATOM 0 H LEU A 69 -6.458 -3.809 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.113 -5.050 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.703 -3.492 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.413 -3.869 0.814 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.532 -6.366 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.381 -6.689 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.164 -5.669 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.214 -4.926 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.529 -6.610 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.359 -4.847 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.841 -5.533 2.367 1.00 0.00 H new ATOM 307 N VAL A 70 -8.369 -1.876 -1.779 1.00 0.00 N ATOM 308 CA VAL A 70 -8.891 -0.584 -2.215 1.00 0.00 C ATOM 309 C VAL A 70 -8.422 -0.261 -3.630 1.00 0.00 C ATOM 310 O VAL A 70 -7.311 -0.608 -4.028 1.00 0.00 O ATOM 311 CB VAL A 70 -8.438 0.530 -1.266 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.970 0.247 0.139 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.906 0.587 -1.226 1.00 0.00 C ATOM 0 H VAL A 70 -7.356 -1.911 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.979 -0.645 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.826 1.485 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.649 1.039 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.059 0.210 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.582 -0.710 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.589 1.381 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.515 -0.368 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.523 0.788 -2.227 1.00 0.00 H new ATOM 323 N LYS A 71 -9.284 0.416 -4.381 1.00 0.00 N ATOM 324 CA LYS A 71 -8.953 0.794 -5.749 1.00 0.00 C ATOM 325 C LYS A 71 -9.317 2.254 -5.990 1.00 0.00 C ATOM 326 O LYS A 71 -10.023 2.871 -5.192 1.00 0.00 O ATOM 327 CB LYS A 71 -9.711 -0.084 -6.749 1.00 0.00 C ATOM 328 CG LYS A 71 -11.211 -0.018 -6.457 1.00 0.00 C ATOM 329 CD LYS A 71 -11.992 -0.477 -7.689 1.00 0.00 C ATOM 330 CE LYS A 71 -12.277 -1.976 -7.586 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.603 -2.234 -6.954 1.00 0.00 N ATOM 0 H LYS A 71 -10.209 0.712 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.881 0.654 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.513 0.253 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.362 -1.114 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.454 -0.650 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.496 1.000 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.928 0.077 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.421 -0.266 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.253 -2.422 -8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.493 -2.458 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.767 -3.259 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.616 -1.829 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.352 -1.794 -7.526 1.00 0.00 H new ATOM 345 N GLU A 72 -8.830 2.801 -7.100 1.00 0.00 N ATOM 346 CA GLU A 72 -9.109 4.195 -7.441 1.00 0.00 C ATOM 347 C GLU A 72 -10.614 4.436 -7.530 1.00 0.00 C ATOM 348 O GLU A 72 -11.292 3.913 -8.416 1.00 0.00 O ATOM 349 CB GLU A 72 -8.469 4.558 -8.782 1.00 0.00 C ATOM 350 CG GLU A 72 -6.953 4.373 -8.690 1.00 0.00 C ATOM 351 CD GLU A 72 -6.330 4.588 -10.066 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.718 5.535 -10.729 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.473 3.802 -10.435 1.00 0.00 O ATOM 0 H GLU A 72 -8.245 2.307 -7.774 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.687 4.821 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.876 3.928 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.705 5.590 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.532 5.079 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.719 3.373 -8.325 1.00 0.00 H new ATOM 360 N GLY A 73 -11.126 5.236 -6.600 1.00 0.00 N ATOM 361 CA GLY A 73 -12.553 5.546 -6.575 1.00 0.00 C ATOM 362 C GLY A 73 -13.226 5.000 -5.313 1.00 0.00 C ATOM 363 O GLY A 73 -14.444 4.822 -5.278 1.00 0.00 O ATOM 0 H GLY A 73 -10.581 5.678 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.692 6.626 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.034 5.122 -7.457 1.00 0.00 H new ATOM 367 N ASP A 74 -12.430 4.743 -4.273 1.00 0.00 N ATOM 368 CA ASP A 74 -12.979 4.228 -3.022 1.00 0.00 C ATOM 369 C ASP A 74 -12.377 4.975 -1.838 1.00 0.00 C ATOM 370 O ASP A 74 -11.191 5.303 -1.830 1.00 0.00 O ATOM 371 CB ASP A 74 -12.679 2.736 -2.871 1.00 0.00 C ATOM 372 CG ASP A 74 -13.379 1.957 -3.981 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.460 2.364 -4.375 1.00 0.00 O ATOM 374 OD2 ASP A 74 -12.825 0.962 -4.419 1.00 0.00 O ATOM 0 H ASP A 74 -11.419 4.881 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.059 4.376 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.603 2.565 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.018 2.384 -1.897 1.00 0.00 H new ATOM 379 N THR A 75 -13.212 5.246 -0.840 1.00 0.00 N ATOM 380 CA THR A 75 -12.755 5.963 0.347 1.00 0.00 C ATOM 381 C THR A 75 -12.372 4.984 1.451 1.00 0.00 C ATOM 382 O THR A 75 -13.117 4.054 1.764 1.00 0.00 O ATOM 383 CB THR A 75 -13.853 6.894 0.865 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.656 7.327 -0.225 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.218 8.106 1.547 1.00 0.00 C ATOM 0 H THR A 75 -14.198 4.984 -0.828 1.00 0.00 H new ATOM 0 HA THR A 75 -11.881 6.551 0.067 1.00 0.00 H new ATOM 0 HB THR A 75 -14.473 6.360 1.585 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.361 7.922 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.002 8.768 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.602 7.772 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.597 8.643 0.830 1.00 0.00 H new ATOM 393 N VAL A 76 -11.200 5.206 2.039 1.00 0.00 N ATOM 394 CA VAL A 76 -10.720 4.339 3.113 1.00 0.00 C ATOM 395 C VAL A 76 -10.638 5.115 4.423 1.00 0.00 C ATOM 396 O VAL A 76 -10.740 6.341 4.443 1.00 0.00 O ATOM 397 CB VAL A 76 -9.333 3.785 2.780 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.436 2.825 1.594 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.393 4.939 2.420 1.00 0.00 C ATOM 0 H VAL A 76 -10.570 5.970 1.794 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.424 3.514 3.217 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.940 3.252 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.447 2.431 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.103 2.002 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.831 3.357 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.405 4.543 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.787 5.473 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.317 5.623 3.265 1.00 0.00 H new ATOM 409 N LYS A 77 -10.453 4.383 5.517 1.00 0.00 N ATOM 410 CA LYS A 77 -10.354 5.009 6.832 1.00 0.00 C ATOM 411 C LYS A 77 -9.022 4.659 7.484 1.00 0.00 C ATOM 412 O LYS A 77 -8.544 3.528 7.388 1.00 0.00 O ATOM 413 CB LYS A 77 -11.494 4.537 7.738 1.00 0.00 C ATOM 414 CG LYS A 77 -12.816 5.129 7.244 1.00 0.00 C ATOM 415 CD LYS A 77 -13.066 6.471 7.934 1.00 0.00 C ATOM 416 CE LYS A 77 -13.789 6.237 9.261 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.633 7.407 9.636 1.00 0.00 N ATOM 0 H LYS A 77 -10.369 3.366 5.521 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.423 6.089 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.547 3.448 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.307 4.845 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.784 5.265 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.635 4.442 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.120 6.984 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.664 7.116 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.413 5.346 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.058 6.048 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.109 7.216 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.033 8.251 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.346 7.572 8.897 1.00 0.00 H new ATOM 431 N ALA A 78 -8.423 5.647 8.147 1.00 0.00 N ATOM 432 CA ALA A 78 -7.136 5.442 8.815 1.00 0.00 C ATOM 433 C ALA A 78 -7.216 4.289 9.814 1.00 0.00 C ATOM 434 O ALA A 78 -7.673 4.457 10.945 1.00 0.00 O ATOM 435 CB ALA A 78 -6.714 6.711 9.558 1.00 0.00 C ATOM 0 H ALA A 78 -8.803 6.589 8.237 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.400 5.201 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.756 6.543 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.619 7.533 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.466 6.962 10.306 1.00 0.00 H new ATOM 441 N GLY A 79 -6.766 3.115 9.380 1.00 0.00 N ATOM 442 CA GLY A 79 -6.788 1.935 10.241 1.00 0.00 C ATOM 443 C GLY A 79 -7.289 0.714 9.475 1.00 0.00 C ATOM 444 O GLY A 79 -6.806 -0.402 9.671 1.00 0.00 O ATOM 0 H GLY A 79 -6.385 2.955 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.787 1.742 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.431 2.119 11.101 1.00 0.00 H new ATOM 448 N GLN A 80 -8.264 0.938 8.600 1.00 0.00 N ATOM 449 CA GLN A 80 -8.829 -0.150 7.806 1.00 0.00 C ATOM 450 C GLN A 80 -7.787 -0.703 6.838 1.00 0.00 C ATOM 451 O GLN A 80 -6.908 0.021 6.370 1.00 0.00 O ATOM 452 CB GLN A 80 -10.038 0.343 7.007 1.00 0.00 C ATOM 453 CG GLN A 80 -10.833 -0.857 6.488 1.00 0.00 C ATOM 454 CD GLN A 80 -11.822 -0.390 5.425 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.750 0.362 5.720 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.675 -0.794 4.193 1.00 0.00 N ATOM 0 H GLN A 80 -8.677 1.854 8.423 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.142 -0.938 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.672 0.968 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.708 0.962 6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.156 -1.601 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.365 -1.337 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.905 -1.417 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.330 -0.486 3.474 1.00 0.00 H new ATOM 465 N THR A 81 -7.897 -1.996 6.543 1.00 0.00 N ATOM 466 CA THR A 81 -6.960 -2.642 5.628 1.00 0.00 C ATOM 467 C THR A 81 -7.138 -2.095 4.215 1.00 0.00 C ATOM 468 O THR A 81 -8.260 -1.917 3.740 1.00 0.00 O ATOM 469 CB THR A 81 -7.183 -4.156 5.607 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.205 -4.648 6.941 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.051 -4.829 4.832 1.00 0.00 C ATOM 0 H THR A 81 -8.618 -2.612 6.920 1.00 0.00 H new ATOM 0 HA THR A 81 -5.949 -2.432 5.978 1.00 0.00 H new ATOM 0 HB THR A 81 -8.134 -4.377 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.349 -5.617 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.211 -5.907 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.035 -4.451 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.099 -4.610 5.315 1.00 0.00 H new ATOM 479 N VAL A 82 -6.018 -1.826 3.553 1.00 0.00 N ATOM 480 CA VAL A 82 -6.058 -1.292 2.193 1.00 0.00 C ATOM 481 C VAL A 82 -5.466 -2.286 1.193 1.00 0.00 C ATOM 482 O VAL A 82 -5.879 -2.339 0.034 1.00 0.00 O ATOM 483 CB VAL A 82 -5.290 0.036 2.111 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.899 1.032 3.100 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.808 -0.184 2.458 1.00 0.00 C ATOM 0 H VAL A 82 -5.080 -1.966 3.929 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.104 -1.119 1.938 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.362 0.427 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.357 1.976 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.946 1.200 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.828 0.631 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.275 0.765 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.726 -0.581 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.371 -0.892 1.754 1.00 0.00 H new ATOM 495 N LEU A 83 -4.492 -3.070 1.649 1.00 0.00 N ATOM 496 CA LEU A 83 -3.850 -4.051 0.778 1.00 0.00 C ATOM 497 C LEU A 83 -3.139 -5.119 1.605 1.00 0.00 C ATOM 498 O LEU A 83 -2.699 -4.866 2.727 1.00 0.00 O ATOM 499 CB LEU A 83 -2.832 -3.360 -0.133 1.00 0.00 C ATOM 500 CG LEU A 83 -2.011 -4.289 -1.037 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.708 -3.583 -2.362 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.697 -4.647 -0.338 1.00 0.00 C ATOM 0 H LEU A 83 -4.134 -3.047 2.604 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.622 -4.524 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.362 -2.645 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.144 -2.788 0.490 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.580 -5.198 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.125 -4.245 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.643 -3.328 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.140 -2.673 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.112 -5.307 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.130 -3.737 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.912 -5.152 0.604 1.00 0.00 H new ATOM 514 N VAL A 84 -3.031 -6.315 1.033 1.00 0.00 N ATOM 515 CA VAL A 84 -2.369 -7.422 1.720 1.00 0.00 C ATOM 516 C VAL A 84 -0.967 -7.628 1.151 1.00 0.00 C ATOM 517 O VAL A 84 -0.786 -7.745 -0.061 1.00 0.00 O ATOM 518 CB VAL A 84 -3.171 -8.715 1.555 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.565 -9.812 2.433 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.623 -8.473 1.976 1.00 0.00 C ATOM 0 H VAL A 84 -3.389 -6.542 0.105 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.303 -7.174 2.779 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.140 -9.027 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.138 -10.732 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.531 -9.987 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.593 -9.500 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.194 -9.394 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.652 -8.159 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.058 -7.694 1.350 1.00 0.00 H new ATOM 530 N LEU A 85 0.022 -7.667 2.039 1.00 0.00 N ATOM 531 CA LEU A 85 1.405 -7.854 1.613 1.00 0.00 C ATOM 532 C LEU A 85 1.928 -9.215 2.065 1.00 0.00 C ATOM 533 O LEU A 85 1.393 -9.827 2.989 1.00 0.00 O ATOM 534 CB LEU A 85 2.298 -6.756 2.194 1.00 0.00 C ATOM 535 CG LEU A 85 3.463 -6.317 1.303 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.011 -5.172 0.397 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.625 -5.842 2.181 1.00 0.00 C ATOM 0 H LEU A 85 -0.106 -7.573 3.047 1.00 0.00 H new ATOM 0 HA LEU A 85 1.429 -7.803 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.680 -5.885 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.701 -7.104 3.145 1.00 0.00 H new ATOM 0 HG LEU A 85 3.788 -7.158 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.841 -4.860 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.183 -5.508 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.686 -4.331 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.455 -5.529 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.299 -5.001 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.949 -6.657 2.828 1.00 0.00 H new ATOM 549 N GLU A 86 2.983 -9.678 1.400 1.00 0.00 N ATOM 550 CA GLU A 86 3.581 -10.966 1.736 1.00 0.00 C ATOM 551 C GLU A 86 5.103 -10.877 1.668 1.00 0.00 C ATOM 552 O GLU A 86 5.715 -11.216 0.655 1.00 0.00 O ATOM 553 CB GLU A 86 3.104 -12.050 0.765 1.00 0.00 C ATOM 554 CG GLU A 86 1.673 -12.461 1.121 1.00 0.00 C ATOM 555 CD GLU A 86 1.110 -13.349 0.016 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.405 -13.084 -1.138 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.394 -14.281 0.341 1.00 0.00 O ATOM 0 H GLU A 86 3.438 -9.185 0.632 1.00 0.00 H new ATOM 0 HA GLU A 86 3.273 -11.226 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.143 -11.678 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.765 -12.915 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.662 -12.994 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.049 -11.576 1.245 1.00 0.00 H new ATOM 630 N GLU A 91 2.127 -13.200 5.118 1.00 0.00 N ATOM 631 CA GLU A 91 0.953 -12.387 4.812 1.00 0.00 C ATOM 632 C GLU A 91 0.732 -11.339 5.898 1.00 0.00 C ATOM 633 O GLU A 91 0.396 -11.665 7.036 1.00 0.00 O ATOM 634 CB GLU A 91 -0.295 -13.266 4.704 1.00 0.00 C ATOM 635 CG GLU A 91 -0.374 -13.870 3.301 1.00 0.00 C ATOM 636 CD GLU A 91 -1.605 -14.764 3.203 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.550 -15.873 3.709 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.586 -14.327 2.623 1.00 0.00 O ATOM 0 HA GLU A 91 1.128 -11.889 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.260 -14.059 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.188 -12.675 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.426 -13.078 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.526 -14.448 3.091 1.00 0.00 H new ATOM 645 N THR A 92 0.923 -10.075 5.531 1.00 0.00 N ATOM 646 CA THR A 92 0.740 -8.981 6.481 1.00 0.00 C ATOM 647 C THR A 92 -0.339 -8.024 5.986 1.00 0.00 C ATOM 648 O THR A 92 -0.418 -7.714 4.797 1.00 0.00 O ATOM 649 CB THR A 92 2.047 -8.207 6.668 1.00 0.00 C ATOM 650 OG1 THR A 92 3.104 -9.121 6.929 1.00 0.00 O ATOM 651 CG2 THR A 92 1.905 -7.237 7.842 1.00 0.00 C ATOM 0 H THR A 92 1.201 -9.784 4.594 1.00 0.00 H new ATOM 0 HA THR A 92 0.436 -9.411 7.435 1.00 0.00 H new ATOM 0 HB THR A 92 2.269 -7.644 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.942 -8.627 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.837 -6.687 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.095 -6.536 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.682 -7.796 8.751 1.00 0.00 H new ATOM 659 N GLU A 93 -1.172 -7.559 6.914 1.00 0.00 N ATOM 660 CA GLU A 93 -2.250 -6.637 6.564 1.00 0.00 C ATOM 661 C GLU A 93 -1.744 -5.199 6.567 1.00 0.00 C ATOM 662 O GLU A 93 -1.034 -4.776 7.480 1.00 0.00 O ATOM 663 CB GLU A 93 -3.404 -6.761 7.561 1.00 0.00 C ATOM 664 CG GLU A 93 -4.303 -7.932 7.162 1.00 0.00 C ATOM 665 CD GLU A 93 -4.982 -8.499 8.403 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.966 -7.920 8.833 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.506 -9.503 8.907 1.00 0.00 O ATOM 0 H GLU A 93 -1.123 -7.802 7.903 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.603 -6.895 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.014 -6.915 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.981 -5.837 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.053 -7.600 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.713 -8.706 6.672 1.00 0.00 H new ATOM 674 N ILE A 94 -2.120 -4.450 5.533 1.00 0.00 N ATOM 675 CA ILE A 94 -1.702 -3.056 5.423 1.00 0.00 C ATOM 676 C ILE A 94 -2.882 -2.129 5.691 1.00 0.00 C ATOM 677 O ILE A 94 -3.888 -2.163 4.983 1.00 0.00 O ATOM 678 CB ILE A 94 -1.146 -2.769 4.024 1.00 0.00 C ATOM 679 CG1 ILE A 94 -0.072 -3.808 3.663 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.536 -1.364 3.993 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.080 -3.765 4.677 1.00 0.00 C ATOM 0 H ILE A 94 -2.707 -4.781 4.767 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.922 -2.877 6.163 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.957 -2.829 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.513 -4.805 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.310 -3.612 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.141 -1.161 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.303 -0.629 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.271 -1.301 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.831 -4.507 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.532 -2.773 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.696 -3.984 5.673 1.00 0.00 H new ATOM 693 N ASN A 95 -2.750 -1.303 6.724 1.00 0.00 N ATOM 694 CA ASN A 95 -3.815 -0.369 7.081 1.00 0.00 C ATOM 695 C ASN A 95 -3.452 1.046 6.643 1.00 0.00 C ATOM 696 O ASN A 95 -2.295 1.459 6.721 1.00 0.00 O ATOM 697 CB ASN A 95 -4.051 -0.378 8.592 1.00 0.00 C ATOM 698 CG ASN A 95 -2.735 -0.117 9.316 1.00 0.00 C ATOM 699 OD1 ASN A 95 -1.749 -0.822 9.099 1.00 0.00 O ATOM 700 ND2 ASN A 95 -2.658 0.866 10.171 1.00 0.00 N ATOM 0 H ASN A 95 -1.926 -1.260 7.324 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.725 -0.685 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.783 0.384 8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.463 -1.339 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.781 1.050 10.659 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.474 1.450 10.351 1.00 0.00 H new ATOM 707 N ALA A 96 -4.458 1.783 6.179 1.00 0.00 N ATOM 708 CA ALA A 96 -4.240 3.155 5.727 1.00 0.00 C ATOM 709 C ALA A 96 -3.708 4.020 6.875 1.00 0.00 C ATOM 710 O ALA A 96 -4.135 3.869 8.021 1.00 0.00 O ATOM 711 CB ALA A 96 -5.548 3.758 5.208 1.00 0.00 C ATOM 0 H ALA A 96 -5.422 1.458 6.106 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.505 3.134 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.370 4.780 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.917 3.163 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.290 3.761 6.007 1.00 0.00 H new ATOM 717 N PRO A 97 -2.773 4.937 6.586 1.00 0.00 N ATOM 718 CA PRO A 97 -2.197 5.819 7.612 1.00 0.00 C ATOM 719 C PRO A 97 -3.174 6.907 8.051 1.00 0.00 C ATOM 720 O PRO A 97 -3.221 7.286 9.222 1.00 0.00 O ATOM 721 CB PRO A 97 -0.985 6.441 6.925 1.00 0.00 C ATOM 722 CG PRO A 97 -1.290 6.385 5.468 1.00 0.00 C ATOM 723 CD PRO A 97 -2.191 5.202 5.256 1.00 0.00 C ATOM 0 HA PRO A 97 -1.947 5.270 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.829 7.468 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.074 5.889 7.158 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.776 7.304 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.374 6.282 4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.965 5.420 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.634 4.340 4.888 1.00 0.00 H new ATOM 731 N THR A 98 -3.952 7.403 7.094 1.00 0.00 N ATOM 732 CA THR A 98 -4.929 8.449 7.382 1.00 0.00 C ATOM 733 C THR A 98 -6.152 8.293 6.486 1.00 0.00 C ATOM 734 O THR A 98 -6.069 7.743 5.388 1.00 0.00 O ATOM 735 CB THR A 98 -4.317 9.832 7.153 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.945 9.963 5.788 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.080 9.999 8.039 1.00 0.00 C ATOM 0 H THR A 98 -3.926 7.101 6.120 1.00 0.00 H new ATOM 0 HA THR A 98 -5.227 8.354 8.426 1.00 0.00 H new ATOM 0 HB THR A 98 -5.048 10.599 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.554 10.849 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.645 10.985 7.875 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.366 9.899 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.347 9.233 7.788 1.00 0.00 H new ATOM 745 N ASP A 99 -7.290 8.786 6.966 1.00 0.00 N ATOM 746 CA ASP A 99 -8.528 8.699 6.198 1.00 0.00 C ATOM 747 C ASP A 99 -8.425 9.534 4.927 1.00 0.00 C ATOM 748 O ASP A 99 -7.843 10.620 4.925 1.00 0.00 O ATOM 749 CB ASP A 99 -9.715 9.197 7.026 1.00 0.00 C ATOM 750 CG ASP A 99 -9.407 10.587 7.577 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.398 11.523 6.795 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.184 10.692 8.771 1.00 0.00 O ATOM 0 H ASP A 99 -7.381 9.245 7.872 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.685 7.653 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.613 9.230 6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.916 8.506 7.845 1.00 0.00 H new ATOM 757 N GLY A 100 -8.995 9.015 3.844 1.00 0.00 N ATOM 758 CA GLY A 100 -8.962 9.721 2.566 1.00 0.00 C ATOM 759 C GLY A 100 -9.587 8.876 1.461 1.00 0.00 C ATOM 760 O GLY A 100 -10.413 8.001 1.721 1.00 0.00 O ATOM 0 H GLY A 100 -9.480 8.118 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.498 10.666 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.931 9.962 2.306 1.00 0.00 H new ATOM 764 N LYS A 101 -9.181 9.148 0.224 1.00 0.00 N ATOM 765 CA LYS A 101 -9.707 8.407 -0.921 1.00 0.00 C ATOM 766 C LYS A 101 -8.574 7.975 -1.847 1.00 0.00 C ATOM 767 O LYS A 101 -7.595 8.698 -2.037 1.00 0.00 O ATOM 768 CB LYS A 101 -10.693 9.273 -1.710 1.00 0.00 C ATOM 769 CG LYS A 101 -11.412 8.410 -2.748 1.00 0.00 C ATOM 770 CD LYS A 101 -12.721 9.090 -3.161 1.00 0.00 C ATOM 771 CE LYS A 101 -12.427 10.238 -4.131 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.402 10.260 -5.259 1.00 0.00 N ATOM 0 H LYS A 101 -8.497 9.867 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.220 7.523 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.418 9.726 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.164 10.088 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.774 8.265 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.618 7.422 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.385 8.365 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.238 9.470 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.465 11.187 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.416 10.134 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.176 11.049 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.347 9.363 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.364 10.383 -4.884 1.00 0.00 H new ATOM 786 N VAL A 102 -8.721 6.786 -2.425 1.00 0.00 N ATOM 787 CA VAL A 102 -7.711 6.257 -3.336 1.00 0.00 C ATOM 788 C VAL A 102 -7.809 6.955 -4.689 1.00 0.00 C ATOM 789 O VAL A 102 -8.778 6.776 -5.427 1.00 0.00 O ATOM 790 CB VAL A 102 -7.909 4.750 -3.532 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.738 4.178 -4.335 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.985 4.053 -2.165 1.00 0.00 C ATOM 0 H VAL A 102 -9.524 6.174 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.728 6.438 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.839 4.578 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.881 3.106 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.691 4.666 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.807 4.353 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.126 2.982 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.059 4.226 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.824 4.456 -1.597 1.00 0.00 H new ATOM 802 N GLU A 103 -6.797 7.758 -5.005 1.00 0.00 N ATOM 803 CA GLU A 103 -6.785 8.486 -6.273 1.00 0.00 C ATOM 804 C GLU A 103 -5.986 7.726 -7.327 1.00 0.00 C ATOM 805 O GLU A 103 -6.296 7.782 -8.517 1.00 0.00 O ATOM 806 CB GLU A 103 -6.180 9.883 -6.092 1.00 0.00 C ATOM 807 CG GLU A 103 -4.822 9.776 -5.395 1.00 0.00 C ATOM 808 CD GLU A 103 -4.077 11.100 -5.526 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.031 11.625 -6.626 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.564 11.570 -4.524 1.00 0.00 O ATOM 0 H GLU A 103 -5.984 7.921 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.818 8.582 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.064 10.367 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.853 10.507 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.960 9.527 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.236 8.971 -5.839 1.00 0.00 H new ATOM 817 N LYS A 104 -4.954 7.014 -6.881 1.00 0.00 N ATOM 818 CA LYS A 104 -4.116 6.246 -7.800 1.00 0.00 C ATOM 819 C LYS A 104 -3.332 5.181 -7.037 1.00 0.00 C ATOM 820 O LYS A 104 -2.685 5.467 -6.030 1.00 0.00 O ATOM 821 CB LYS A 104 -3.132 7.172 -8.531 1.00 0.00 C ATOM 822 CG LYS A 104 -3.649 7.471 -9.946 1.00 0.00 C ATOM 823 CD LYS A 104 -2.907 6.601 -10.963 1.00 0.00 C ATOM 824 CE LYS A 104 -1.752 7.399 -11.575 1.00 0.00 C ATOM 825 NZ LYS A 104 -2.227 8.293 -12.669 1.00 0.00 N ATOM 0 H LYS A 104 -4.679 6.952 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.766 5.764 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.012 8.101 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.149 6.703 -8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.720 7.277 -10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.504 8.525 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.525 5.703 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.592 6.274 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.269 7.995 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.000 6.713 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.421 8.819 -13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.666 7.721 -13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.926 8.963 -12.291 1.00 0.00 H new ATOM 839 N VAL A 105 -3.399 3.947 -7.532 1.00 0.00 N ATOM 840 CA VAL A 105 -2.690 2.839 -6.893 1.00 0.00 C ATOM 841 C VAL A 105 -1.441 2.481 -7.691 1.00 0.00 C ATOM 842 O VAL A 105 -1.524 1.991 -8.817 1.00 0.00 O ATOM 843 CB VAL A 105 -3.592 1.606 -6.797 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.902 0.529 -5.956 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.918 1.993 -6.134 1.00 0.00 C ATOM 0 H VAL A 105 -3.930 3.690 -8.364 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.405 3.155 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.782 1.220 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.546 -0.348 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.958 0.251 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.710 0.916 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.560 1.115 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.725 2.380 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.413 2.759 -6.731 1.00 0.00 H new ATOM 855 N LEU A 106 -0.280 2.733 -7.094 1.00 0.00 N ATOM 856 CA LEU A 106 0.988 2.436 -7.753 1.00 0.00 C ATOM 857 C LEU A 106 1.319 0.951 -7.634 1.00 0.00 C ATOM 858 O LEU A 106 1.952 0.370 -8.516 1.00 0.00 O ATOM 859 CB LEU A 106 2.120 3.250 -7.125 1.00 0.00 C ATOM 860 CG LEU A 106 1.813 4.732 -6.895 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.638 5.246 -5.713 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.173 5.527 -8.152 1.00 0.00 C ATOM 0 H LEU A 106 -0.190 3.139 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 106 0.889 2.702 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.383 2.798 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.999 3.173 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 106 0.752 4.855 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.420 6.301 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.383 4.679 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.699 5.124 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.955 6.583 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.234 5.405 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.587 5.161 -8.995 1.00 0.00 H new ATOM 874 N VAL A 107 0.888 0.345 -6.531 1.00 0.00 N ATOM 875 CA VAL A 107 1.148 -1.074 -6.303 1.00 0.00 C ATOM 876 C VAL A 107 0.103 -1.932 -7.010 1.00 0.00 C ATOM 877 O VAL A 107 -1.059 -1.547 -7.134 1.00 0.00 O ATOM 878 CB VAL A 107 1.126 -1.389 -4.806 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.264 -0.637 -4.112 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.212 -0.945 -4.207 1.00 0.00 C ATOM 0 H VAL A 107 0.363 0.807 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 107 2.134 -1.303 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 107 1.252 -2.462 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.250 -0.860 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.218 -0.950 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.135 0.435 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.226 -1.170 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.338 0.128 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.026 -1.476 -4.701 1.00 0.00 H new ATOM 890 N LYS A 108 0.534 -3.104 -7.470 1.00 0.00 N ATOM 891 CA LYS A 108 -0.369 -4.019 -8.165 1.00 0.00 C ATOM 892 C LYS A 108 -0.276 -5.415 -7.558 1.00 0.00 C ATOM 893 O LYS A 108 0.579 -5.688 -6.715 1.00 0.00 O ATOM 894 CB LYS A 108 -0.016 -4.097 -9.651 1.00 0.00 C ATOM 895 CG LYS A 108 -0.426 -2.795 -10.343 1.00 0.00 C ATOM 896 CD LYS A 108 0.478 -2.555 -11.554 1.00 0.00 C ATOM 897 CE LYS A 108 -0.127 -1.457 -12.432 1.00 0.00 C ATOM 898 NZ LYS A 108 -1.038 -2.027 -13.465 1.00 0.00 N ATOM 0 H LYS A 108 1.492 -3.440 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.385 -3.639 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.054 -4.265 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.526 -4.943 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.468 -2.851 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.348 -1.960 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.475 -2.264 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.588 -3.475 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.677 -0.752 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.671 -0.897 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.432 -1.258 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.506 -2.681 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.813 -2.541 -12.999 1.00 0.00 H new ATOM 912 N GLU A 109 -1.168 -6.298 -7.998 1.00 0.00 N ATOM 913 CA GLU A 109 -1.182 -7.668 -7.493 1.00 0.00 C ATOM 914 C GLU A 109 0.050 -8.426 -7.986 1.00 0.00 C ATOM 915 O GLU A 109 0.459 -8.289 -9.140 1.00 0.00 O ATOM 916 CB GLU A 109 -2.453 -8.396 -7.962 1.00 0.00 C ATOM 917 CG GLU A 109 -3.220 -8.943 -6.752 1.00 0.00 C ATOM 918 CD GLU A 109 -4.718 -8.879 -7.025 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.171 -7.844 -7.487 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.390 -9.863 -6.769 1.00 0.00 O ATOM 0 H GLU A 109 -1.883 -6.093 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.170 -7.633 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.087 -7.712 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.188 -9.212 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.920 -9.972 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.977 -8.363 -5.862 1.00 0.00 H new ATOM 927 N ARG A 110 0.634 -9.226 -7.097 1.00 0.00 N ATOM 928 CA ARG A 110 1.820 -10.006 -7.446 1.00 0.00 C ATOM 929 C ARG A 110 2.969 -9.084 -7.850 1.00 0.00 C ATOM 930 O ARG A 110 3.708 -9.359 -8.797 1.00 0.00 O ATOM 931 CB ARG A 110 1.511 -10.963 -8.601 1.00 0.00 C ATOM 932 CG ARG A 110 0.943 -12.270 -8.044 1.00 0.00 C ATOM 933 CD ARG A 110 1.299 -13.423 -8.984 1.00 0.00 C ATOM 934 NE ARG A 110 0.233 -13.641 -9.958 1.00 0.00 N ATOM 935 CZ ARG A 110 0.360 -14.551 -10.920 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.017 -15.790 -10.695 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.828 -14.206 -12.088 1.00 0.00 N ATOM 0 H ARG A 110 0.310 -9.351 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 110 2.114 -10.582 -6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.796 -10.506 -9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.417 -11.163 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.347 -12.460 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.139 -12.193 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.232 -13.202 -9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.463 -14.333 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.622 -13.087 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.348 -16.060 -9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.114 -16.488 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.097 -13.238 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.925 -14.904 -12.825 1.00 0.00 H new ATOM 951 N ASP A 111 3.113 -7.984 -7.116 1.00 0.00 N ATOM 952 CA ASP A 111 4.177 -7.024 -7.400 1.00 0.00 C ATOM 953 C ASP A 111 5.070 -6.842 -6.176 1.00 0.00 C ATOM 954 O ASP A 111 4.607 -6.898 -5.038 1.00 0.00 O ATOM 955 CB ASP A 111 3.585 -5.669 -7.792 1.00 0.00 C ATOM 956 CG ASP A 111 3.066 -5.737 -9.224 1.00 0.00 C ATOM 957 OD1 ASP A 111 1.987 -6.273 -9.416 1.00 0.00 O ATOM 958 OD2 ASP A 111 3.754 -5.253 -10.107 1.00 0.00 O ATOM 0 H ASP A 111 2.514 -7.736 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 111 4.770 -7.413 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.775 -5.404 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.343 -4.890 -7.705 1.00 0.00 H new ATOM 963 N ALA A 112 6.358 -6.623 -6.426 1.00 0.00 N ATOM 964 CA ALA A 112 7.314 -6.435 -5.337 1.00 0.00 C ATOM 965 C ALA A 112 7.451 -4.953 -5.000 1.00 0.00 C ATOM 966 O ALA A 112 7.637 -4.115 -5.883 1.00 0.00 O ATOM 967 CB ALA A 112 8.687 -6.985 -5.728 1.00 0.00 C ATOM 0 H ALA A 112 6.761 -6.572 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 112 6.942 -6.974 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.386 -6.836 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.604 -8.050 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.050 -6.461 -6.612 1.00 0.00 H new ATOM 973 N VAL A 113 7.357 -4.642 -3.710 1.00 0.00 N ATOM 974 CA VAL A 113 7.473 -3.258 -3.260 1.00 0.00 C ATOM 975 C VAL A 113 8.642 -3.111 -2.290 1.00 0.00 C ATOM 976 O VAL A 113 9.028 -4.061 -1.611 1.00 0.00 O ATOM 977 CB VAL A 113 6.186 -2.815 -2.561 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.039 -2.793 -3.572 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.854 -3.798 -1.435 1.00 0.00 C ATOM 0 H VAL A 113 7.203 -5.321 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 113 7.645 -2.631 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 113 6.323 -1.817 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.122 -2.478 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.275 -2.095 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.901 -3.791 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.937 -3.484 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.716 -4.796 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.672 -3.815 -0.714 1.00 0.00 H new ATOM 989 N GLN A 114 9.201 -1.905 -2.236 1.00 0.00 N ATOM 990 CA GLN A 114 10.329 -1.640 -1.345 1.00 0.00 C ATOM 991 C GLN A 114 9.847 -0.965 -0.065 1.00 0.00 C ATOM 992 O GLN A 114 8.900 -0.179 -0.079 1.00 0.00 O ATOM 993 CB GLN A 114 11.352 -0.732 -2.030 1.00 0.00 C ATOM 994 CG GLN A 114 12.107 -1.528 -3.099 1.00 0.00 C ATOM 995 CD GLN A 114 11.433 -1.330 -4.453 1.00 0.00 C ATOM 996 OE1 GLN A 114 10.411 -1.952 -4.741 1.00 0.00 O ATOM 997 NE2 GLN A 114 11.950 -0.491 -5.308 1.00 0.00 N ATOM 0 H GLN A 114 8.897 -1.105 -2.790 1.00 0.00 H new ATOM 0 HA GLN A 114 10.797 -2.594 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.849 0.122 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.052 -0.335 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 114 13.145 -1.199 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.119 -2.586 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.797 0.024 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.507 -0.350 -6.216 1.00 0.00 H new ATOM 1006 N GLY A 115 10.511 -1.282 1.043 1.00 0.00 N ATOM 1007 CA GLY A 115 10.144 -0.701 2.332 1.00 0.00 C ATOM 1008 C GLY A 115 10.287 0.817 2.301 1.00 0.00 C ATOM 1009 O GLY A 115 11.395 1.350 2.240 1.00 0.00 O ATOM 0 H GLY A 115 11.298 -1.931 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.117 -0.969 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.778 -1.115 3.116 1.00 0.00 H new ATOM 1013 N GLY A 116 9.151 1.508 2.338 1.00 0.00 N ATOM 1014 CA GLY A 116 9.158 2.969 2.310 1.00 0.00 C ATOM 1015 C GLY A 116 8.534 3.492 1.019 1.00 0.00 C ATOM 1016 O GLY A 116 7.972 4.587 0.985 1.00 0.00 O ATOM 0 H GLY A 116 8.223 1.087 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.607 3.356 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.181 3.334 2.398 1.00 0.00 H new ATOM 1020 N GLN A 117 8.642 2.699 -0.048 1.00 0.00 N ATOM 1021 CA GLN A 117 8.086 3.092 -1.342 1.00 0.00 C ATOM 1022 C GLN A 117 6.587 3.354 -1.231 1.00 0.00 C ATOM 1023 O GLN A 117 5.868 2.647 -0.525 1.00 0.00 O ATOM 1024 CB GLN A 117 8.323 1.993 -2.381 1.00 0.00 C ATOM 1025 CG GLN A 117 8.271 2.594 -3.786 1.00 0.00 C ATOM 1026 CD GLN A 117 8.296 1.474 -4.820 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.365 1.014 -5.221 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.170 1.003 -5.281 1.00 0.00 N ATOM 0 H GLN A 117 9.105 1.790 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 117 8.588 4.007 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.291 1.522 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.567 1.214 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.367 3.192 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.118 3.263 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.284 1.384 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.176 0.254 -5.973 1.00 0.00 H new ATOM 1037 N GLY A 118 6.125 4.384 -1.936 1.00 0.00 N ATOM 1038 CA GLY A 118 4.709 4.740 -1.912 1.00 0.00 C ATOM 1039 C GLY A 118 3.853 3.608 -2.467 1.00 0.00 C ATOM 1040 O GLY A 118 4.074 3.129 -3.579 1.00 0.00 O ATOM 0 H GLY A 118 6.704 4.982 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.404 4.964 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.547 5.644 -2.499 1.00 0.00 H new ATOM 1044 N LEU A 119 2.871 3.185 -1.675 1.00 0.00 N ATOM 1045 CA LEU A 119 1.980 2.105 -2.092 1.00 0.00 C ATOM 1046 C LEU A 119 0.783 2.667 -2.853 1.00 0.00 C ATOM 1047 O LEU A 119 0.529 2.296 -3.998 1.00 0.00 O ATOM 1048 CB LEU A 119 1.480 1.325 -0.875 1.00 0.00 C ATOM 1049 CG LEU A 119 2.571 0.673 -0.022 1.00 0.00 C ATOM 1050 CD1 LEU A 119 1.933 0.003 1.197 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.306 -0.381 -0.855 1.00 0.00 C ATOM 0 H LEU A 119 2.673 3.568 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 119 2.542 1.436 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.903 2.000 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.797 0.548 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 119 3.277 1.434 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.709 -0.462 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.407 0.751 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.227 -0.759 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.083 -0.846 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.599 -1.142 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.760 0.094 -1.725 1.00 0.00 H new ATOM 1063 N ILE A 120 0.052 3.566 -2.202 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.119 4.179 -2.824 1.00 0.00 C ATOM 1065 C ILE A 120 -1.208 5.654 -2.452 1.00 0.00 C ATOM 1066 O ILE A 120 -0.755 6.071 -1.386 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.402 3.475 -2.370 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.266 1.969 -2.601 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.594 4.006 -3.172 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.478 1.249 -2.008 1.00 0.00 C ATOM 0 H ILE A 120 0.246 3.885 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.014 4.080 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.564 3.670 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.192 1.760 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.350 1.601 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.505 3.503 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.694 5.079 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.433 3.814 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.380 0.176 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.532 1.448 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.387 1.609 -2.490 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.802 6.439 -3.346 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.954 7.870 -3.107 1.00 0.00 C ATOM 1084 C LYS A 121 -3.315 8.156 -2.482 1.00 0.00 C ATOM 1085 O LYS A 121 -4.356 7.830 -3.052 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.834 8.647 -4.419 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.374 9.041 -4.647 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.317 10.301 -5.512 1.00 0.00 C ATOM 1089 CE LYS A 121 0.981 10.307 -6.319 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.947 11.339 -7.393 1.00 0.00 N ATOM 0 H LYS A 121 -2.183 6.112 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.164 8.188 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.191 8.037 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.461 9.538 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 121 0.119 9.220 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.162 8.227 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.175 10.333 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.371 11.190 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.824 10.498 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.141 9.324 -6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.842 11.318 -7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.157 11.141 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.819 12.279 -6.967 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.296 8.766 -1.300 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.537 9.088 -0.604 1.00 0.00 C ATOM 1106 C ILE A 122 -4.846 10.576 -0.725 1.00 0.00 C ATOM 1107 O ILE A 122 -3.949 11.419 -0.690 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.433 8.718 0.880 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.959 7.261 1.022 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.800 8.885 1.550 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.953 6.306 0.345 1.00 0.00 C ATOM 0 H ILE A 122 -2.446 9.044 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.339 8.512 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.712 9.377 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.972 7.147 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.860 7.005 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.723 8.621 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.126 9.921 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.525 8.232 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.603 5.279 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.932 6.408 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.030 6.552 -0.714 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.130 10.888 -0.869 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.558 12.278 -0.996 1.00 0.00 C ATOM 1125 C GLY A 123 -7.867 12.372 -1.771 1.00 0.00 C ATOM 1126 O GLY A 123 -7.834 12.180 -2.975 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.883 12.636 -1.150 1.00 0.00 O ATOM 0 H GLY A 123 -6.887 10.205 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.684 12.716 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.786 12.856 -1.505 1.00 0.00 H new